[1-(azetidin-1-yl)-2,2-dimethylpropylidene]cyanamide;4-tert-butylbenzonitrile;2-tert-butyl-6-chloropyridine;2-tert-butyl-4-chloropyrimidine;tert-butylcyclobutane;tert-butylcyclopropane;3-tert-butyl-6-methylpyridazine;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methyl-4-(trifluoromethyl)pyridine;2-tert-butylpyridine;2-tert-butylpyridine-3-carbonitrile;1-cyclobutyl-2,2-dimethylpropan-1-one;1-cyclopentyl-2,2-dimethylpropan-1-one;1-cyclopropyl-2,2-dimethylpropan-1-one;bis(2,2-dimethylbutane);2,2-dimethyl-1-(oxolan-2-yl)propan-1-one;2,2-dimethylpentane;2,2-dimethylpropane;2,2-dimethylpropylbenzene;2,2-dimethylpropylcyclopropane;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one;1-(3-fluoro-3-methylpyrrolidin-1-yl)-2,2-dimethylpropan-1-one;2-methylpropane;2,2,5,5-tetramethylhexan-3-one;2,2,4,4-tetramethylpentane;2,2,4,4-tetramethylpentan-3-one;N,N,2,2-tetramethylpropanamide;2,2,3-trimethylbutane;2,2,4-trimethylhexane;2,2,5-trimethylhexane;2,2,4-trimethylpentane

C271H493Cl2F4N17O10 — CID 163524703

IUPAC[1-(azetidin-1-yl)-2,2-dimethylpropylidene]cyanamide;4-tert-butylbenzonitrile;2-tert-butyl-6-chloropyridine;2-tert-butyl-4-chloropyrimidine;tert-butylcyclobutane;tert-butylcyclopropane;3-tert-butyl-6-methylpyridazine;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methyl-4-(trifluoromethyl)pyridine;2-tert-butylpyridine;2-tert-butylpyridine-3-carbonitrile;1-cyclobutyl-2,2-dimethylpropan-1-one;1-cyclopentyl-2,2-dimethylpropan-1-one;1-cyclopropyl-2,2-dimethylpropan-1-one;bis(2,2-dimethylbutane);2,2-dimethyl-1-(oxolan-2-yl)propan-1-one;2,2-dimethylpentane;2,2-dimethylpropane;2,2-dimethylpropylbenzene;2,2-dimethylpropylcyclopropane;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one;1-(3-fluoro-3-methylpyrrolidin-1-yl)-2,2-dimethylpropan-1-one;2-methylpropane;2,2,5,5-tetramethylhexan-3-one;2,2,4,4-tetramethylpentane;2,2,4,4-tetramethylpentan-3-one;N,N,2,2-tetramethylpropanamide;2,2,3-trimethylbutane;2,2,4-trimethylhexane;2,2,5-trimethylhexane;2,2,4-trimethylpentane
SMILESCC(C)(C)/C(=N/C#N)N1CCC1.CC(C)(C)C.CC(C)(C)C(=O)C(C)(C)C.CC(C)(C)C(=O)C1CC1.CC(C)(C)C(=O)C1CCC1.CC(C)(C)C(=O)C1CCCC1.CC(C)(C)C(=O)C1CCCO1.CC(C)(C)C(=O)N1CCCC1.CC(C)(C)C1CC1.CC(C)(C)C1CCC1.CC(C)(C)CC(=O)C(C)(C)C.CC(C)(C)CC(C)(C)C.CC(C)(C)CC1CC1.CC(C)(C)Cc1ccccc1.CC(C)(C)c1ccc(C#N)cc1.CC(C)(C)c1cccc(Cl)n1.CC(C)(C)c1ccccn1.CC(C)(C)c1nccc(Cl)n1.CC(C)(C)c1ncccc1C#N.CC(C)C.CC(C)C(C)(C)C.CC(C)CC(C)(C)C.CC(C)CCC(C)(C)C.CC1(F)CCN(C(=O)C(C)(C)C)C1.CCC(C)(C)C.CCC(C)(C)C.CCC(C)CC(C)(C)C.CCCC(C)(C)C.CN(C)C(=O)C(C)(C)C.Cc1cc(C(F)(F)F)cc(C(C)(C)C)n1.Cc1ccc(C(C)(C)C)nc1.Cc1ccc(C(C)(C)C)nn1
InChIInChI=1S/C11H14F3N.C11H13N.C11H16.C10H18FNO.C10H12N2.C10H15N.C10H18O.C10H20O.C9H12ClN.C9H15N3.C9H14N2.C9H17NO.C9H13N.C9H16O2.C9H16O.C9H18O.3C9H20.C8H11ClN2.C8H14O.2C8H16.C8H18.C7H15NO.C7H14.2C7H16.2C6H14.C5H12.C4H10/c1-7-5-8(11(12,13)14)6-9(15-7)10(2,3)4;1-11(2,3)10-6-4-9(8-12)5-7-10;1-11(2,3)9-10-7-5-4-6-8-10;1-9(2,3)8(13)12-6-5-10(4,11)7-12;1-10(2,3)9-8(7-11)5-4-6-12-9;1-8-5-6-9(11-7-8)10(2,3)4;1-10(2,3)9(11)8-6-4-5-7-8;1-9(2,3)7-8(11)10(4,5)6;1-9(2,3)7-5-4-6-8(10)11-7;1-9(2,3)8(11-7-10)12-5-4-6-12;1-7-5-6-8(11-10-7)9(2,3)4;1-9(2,3)8(11)10-6-4-5-7-10;1-9(2,3)8-6-4-5-7-10-8;1-9(2,3)8(10)7-5-4-6-11-7;1-9(2,3)8(10)7-5-4-6-7;1-8(2,3)7(10)9(4,5)6;1-8(2,3)7-9(4,5)6;1-8(2)6-7-9(3,4)5;1-6-8(2)7-9(3,4)5;1-8(2,3)7-10-5-4-6(9)11-7;1-8(2,3)7(9)6-4-5-6;1-8(2,3)6-7-4-5-7;1-8(2,3)7-5-4-6-7;1-7(2)6-8(3,4)5;1-7(2,3)6(9)8(4)5;1-7(2,3)6-4-5-6;1-6(2)7(3,4)5;1-5-6-7(2,3)4;2*1-5-6(2,3)4;1-5(2,3)4;1-4(2)3/h5-6H,1-4H3;4-7H,1-3H3;4-8H,9H2,1-3H3;5-7H2,1-4H3;4-6H,1-3H3;5-7H,1-4H3;8H,4-7H2,1-3H3;7H2,1-6H3;4-6H,1-3H3;4-6H2,1-3H3;5-6H,1-4H3;4-7H2,1-3H3;4-7H,1-3H3;7H,4-6H2,1-3H3;7H,4-6H2,1-3H3;1-6H3;7H2,1-6H3;2*8H,6-7H2,1-5H3;4-5H,1-3H3;6H,4-5H2,1-3H3;2*7H,4-6H2,1-3H3;7H,6H2,1-5H3;1-5H3;6H,4-5H2,1-3H3;6H,1-5H3;5-6H2,1-4H3;2*5H2,1-4H3;1-4H3;4H,1-3H3/b;;;;;;;;;11-8-;;;;;;;;;;;;;;;;;;;;;;
InChIKeyDNTNTHCMLRHFSW-KQDPJDFCSA-N
MW4296.93 g/mol
LogP81.47
Rot. Bonds13

About [1-(azetidin-1-yl)-2,2-dimethylpropylidene]cyanamide;4-tert-butylbenzonitrile;2-tert-butyl-6-chloropyridine;2-tert-butyl-4-chloropyrimidine;tert-butylcyclobutane;tert-butylcyclopropane;3-tert-butyl-6-methylpyridazine;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methyl-4-(trifluoromethyl)pyridine;2-tert-butylpyridine;2-tert-butylpyridine-3-carbonitrile;1-cyclobutyl-2,2-dimethylpropan-1-one;1-cyclopentyl-2,2-dimethylpropan-1-one;1-cyclopropyl-2,2-dimethylpropan-1-one;bis(2,2-dimethylbutane);2,2-dimethyl-1-(oxolan-2-yl)propan-1-one;2,2-dimethylpentane;2,2-dimethylpropane;2,2-dimethylpropylbenzene;2,2-dimethylpropylcyclopropane;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one;1-(3-fluoro-3-methylpyrrolidin-1-yl)-2,2-dimethylpropan-1-one;2-methylpropane;2,2,5,5-tetramethylhexan-3-one;2,2,4,4-tetramethylpentane;2,2,4,4-tetramethylpentan-3-one;N,N,2,2-tetramethylpropanamide;2,2,3-trimethylbutane;2,2,4-trimethylhexane;2,2,5-trimethylhexane;2,2,4-trimethylpentane

[1-(azetidin-1-yl)-2,2-dimethylpropylidene]cyanamide;4-tert-butylbenzonitrile;2-tert-butyl-6-chloropyridine;2-tert-butyl-4-chloropyrimidine;tert-butylcyclobutane;tert-butylcyclopropane;3-tert-butyl-6-methylpyridazine;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methyl-4-(trifluoromethyl)pyridine;2-tert-butylpyridine;2-tert-butylpyridine-3-carbonitrile;1-cyclobutyl-2,2-dimethylpropan-1-one;1-cyclopentyl-2,2-dimethylpropan-1-one;1-cyclopropyl-2,2-dimethylpropan-1-one;bis(2,2-dimethylbutane);2,2-dimethyl-1-(oxolan-2-yl)propan-1-one;2,2-dimethylpentane;2,2-dimethylpropane;2,2-dimethylpropylbenzene;2,2-dimethylpropylcyclopropane;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one;1-(3-fluoro-3-methylpyrrolidin-1-yl)-2,2-dimethylpropan-1-one;2-methylpropane;2,2,5,5-tetramethylhexan-3-one;2,2,4,4-tetramethylpentane;2,2,4,4-tetramethylpentan-3-one;N,N,2,2-tetramethylpropanamide;2,2,3-trimethylbutane;2,2,4-trimethylhexane;2,2,5-trimethylhexane;2,2,4-trimethylpentane (PubChem CID 163524703) has the molecular formula C271H493Cl2F4N17O10 and a molecular weight of 4296.93 g/mol. Its IUPAC name is [1-(azetidin-1-yl)-2,2-dimethylpropylidene]cyanamide;4-tert-butylbenzonitrile;2-tert-butyl-6-chloropyridine;2-tert-butyl-4-chloropyrimidine;tert-butylcyclobutane;tert-butylcyclopropane;3-tert-butyl-6-methylpyridazine;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methyl-4-(trifluoromethyl)pyridine;2-tert-butylpyridine;2-tert-butylpyridine-3-carbonitrile;1-cyclobutyl-2,2-dimethylpropan-1-one;1-cyclopentyl-2,2-dimethylpropan-1-one;1-cyclopropyl-2,2-dimethylpropan-1-one;bis(2,2-dimethylbutane);2,2-dimethyl-1-(oxolan-2-yl)propan-1-one;2,2-dimethylpentane;2,2-dimethylpropane;2,2-dimethylpropylbenzene;2,2-dimethylpropylcyclopropane;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one;1-(3-fluoro-3-methylpyrrolidin-1-yl)-2,2-dimethylpropan-1-one;2-methylpropane;2,2,5,5-tetramethylhexan-3-one;2,2,4,4-tetramethylpentane;2,2,4,4-tetramethylpentan-3-one;N,N,2,2-tetramethylpropanamide;2,2,3-trimethylbutane;2,2,4-trimethylhexane;2,2,5-trimethylhexane;2,2,4-trimethylpentane.

Molecular Properties

Compound Name[1-(azetidin-1-yl)-2,2-dimethylpropylidene]cyanamide;4-tert-butylbenzonitrile;2-tert-butyl-6-chloropyridine;2-tert-butyl-4-chloropyrimidine;tert-butylcyclobutane;tert-butylcyclopropane;3-tert-butyl-6-methylpyridazine;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methyl-4-(trifluoromethyl)pyridine;2-tert-butylpyridine;2-tert-butylpyridine-3-carbonitrile;1-cyclobutyl-2,2-dimethylpropan-1-one;1-cyclopentyl-2,2-dimethylpropan-1-one;1-cyclopropyl-2,2-dimethylpropan-1-one;bis(2,2-dimethylbutane);2,2-dimethyl-1-(oxolan-2-yl)propan-1-one;2,2-dimethylpentane;2,2-dimethylpropane;2,2-dimethylpropylbenzene;2,2-dimethylpropylcyclopropane;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one;1-(3-fluoro-3-methylpyrrolidin-1-yl)-2,2-dimethylpropan-1-one;2-methylpropane;2,2,5,5-tetramethylhexan-3-one;2,2,4,4-tetramethylpentane;2,2,4,4-tetramethylpentan-3-one;N,N,2,2-tetramethylpropanamide;2,2,3-trimethylbutane;2,2,4-trimethylhexane;2,2,5-trimethylhexane;2,2,4-trimethylpentane
PubChem CID163524703
Molecular FormulaC271H493Cl2F4N17O10
Molecular Weight4296.93 g/mol
Exact Mass4292.79
IUPAC Name[1-(azetidin-1-yl)-2,2-dimethylpropylidene]cyanamide;4-tert-butylbenzonitrile;2-tert-butyl-6-chloropyridine;2-tert-butyl-4-chloropyrimidine;tert-butylcyclobutane;tert-butylcyclopropane;3-tert-butyl-6-methylpyridazine;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methyl-4-(trifluoromethyl)pyridine;2-tert-butylpyridine;2-tert-butylpyridine-3-carbonitrile;1-cyclobutyl-2,2-dimethylpropan-1-one;1-cyclopentyl-2,2-dimethylpropan-1-one;1-cyclopropyl-2,2-dimethylpropan-1-one;bis(2,2-dimethylbutane);2,2-dimethyl-1-(oxolan-2-yl)propan-1-one;2,2-dimethylpentane;2,2-dimethylpropane;2,2-dimethylpropylbenzene;2,2-dimethylpropylcyclopropane;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one;1-(3-fluoro-3-methylpyrrolidin-1-yl)-2,2-dimethylpropan-1-one;2-methylpropane;2,2,5,5-tetramethylhexan-3-one;2,2,4,4-tetramethylpentane;2,2,4,4-tetramethylpentan-3-one;N,N,2,2-tetramethylpropanamide;2,2,3-trimethylbutane;2,2,4-trimethylhexane;2,2,5-trimethylhexane;2,2,4-trimethylpentane
SMILESCC(C)(C)/C(=N/C#N)N1CCC1.CC(C)(C)C.CC(C)(C)C(=O)C(C)(C)C.CC(C)(C)C(=O)C1CC1.CC(C)(C)C(=O)C1CCC1.CC(C)(C)C(=O)C1CCCC1.CC(C)(C)C(=O)C1CCCO1.CC(C)(C)C(=O)N1CCCC1.CC(C)(C)C1CC1.CC(C)(C)C1CCC1.CC(C)(C)CC(=O)C(C)(C)C.CC(C)(C)CC(C)(C)C.CC(C)(C)CC1CC1.CC(C)(C)Cc1ccccc1.CC(C)(C)c1ccc(C#N)cc1.CC(C)(C)c1cccc(Cl)n1.CC(C)(C)c1ccccn1.CC(C)(C)c1nccc(Cl)n1.CC(C)(C)c1ncccc1C#N.CC(C)C.CC(C)C(C)(C)C.CC(C)CC(C)(C)C.CC(C)CCC(C)(C)C.CC1(F)CCN(C(=O)C(C)(C)C)C1.CCC(C)(C)C.CCC(C)(C)C.CCC(C)CC(C)(C)C.CCCC(C)(C)C.CN(C)C(=O)C(C)(C)C.Cc1cc(C(F)(F)F)cc(C(C)(C)C)n1.Cc1ccc(C(C)(C)C)nc1.Cc1ccc(C(C)(C)C)nn1
InChIInChI=1S/C11H14F3N.C11H13N.C11H16.C10H18FNO.C10H12N2.C10H15N.C10H18O.C10H20O.C9H12ClN.C9H15N3.C9H14N2.C9H17NO.C9H13N.C9H16O2.C9H16O.C9H18O.3C9H20.C8H11ClN2.C8H14O.2C8H16.C8H18.C7H15NO.C7H14.2C7H16.2C6H14.C5H12.C4H10/c1-7-5-8(11(12,13)14)6-9(15-7)10(2,3)4;1-11(2,3)10-6-4-9(8-12)5-7-10;1-11(2,3)9-10-7-5-4-6-8-10;1-9(2,3)8(13)12-6-5-10(4,11)7-12;1-10(2,3)9-8(7-11)5-4-6-12-9;1-8-5-6-9(11-7-8)10(2,3)4;1-10(2,3)9(11)8-6-4-5-7-8;1-9(2,3)7-8(11)10(4,5)6;1-9(2,3)7-5-4-6-8(10)11-7;1-9(2,3)8(11-7-10)12-5-4-6-12;1-7-5-6-8(11-10-7)9(2,3)4;1-9(2,3)8(11)10-6-4-5-7-10;1-9(2,3)8-6-4-5-7-10-8;1-9(2,3)8(10)7-5-4-6-11-7;1-9(2,3)8(10)7-5-4-6-7;1-8(2,3)7(10)9(4,5)6;1-8(2,3)7-9(4,5)6;1-8(2)6-7-9(3,4)5;1-6-8(2)7-9(3,4)5;1-8(2,3)7-10-5-4-6(9)11-7;1-8(2,3)7(9)6-4-5-6;1-8(2,3)6-7-4-5-7;1-8(2,3)7-5-4-6-7;1-7(2)6-8(3,4)5;1-7(2,3)6(9)8(4)5;1-7(2,3)6-4-5-6;1-6(2)7(3,4)5;1-5-6-7(2,3)4;2*1-5-6(2,3)4;1-5(2,3)4;1-4(2)3/h5-6H,1-4H3;4-7H,1-3H3;4-8H,9H2,1-3H3;5-7H2,1-4H3;4-6H,1-3H3;5-7H,1-4H3;8H,4-7H2,1-3H3;7H2,1-6H3;4-6H,1-3H3;4-6H2,1-3H3;5-6H,1-4H3;4-7H2,1-3H3;4-7H,1-3H3;7H,4-6H2,1-3H3;7H,4-6H2,1-3H3;1-6H3;7H2,1-6H3;2*8H,6-7H2,1-5H3;4-5H,1-3H3;6H,4-5H2,1-3H3;2*7H,4-6H2,1-3H3;7H,6H2,1-5H3;1-5H3;6H,4-5H2,1-3H3;6H,1-5H3;5-6H2,1-4H3;2*5H2,1-4H3;1-4H3;4H,1-3H3/b;;;;;;;;;11-8-;;;;;;;;;;;;;;;;;;;;;;
InChIKeyDNTNTHCMLRHFSW-KQDPJDFCSA-N
XLogP81.47
TPSA375.56 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds13
Heavy Atoms304
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004296.93
LogP ≤ 581.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

Analyze [1-(azetidin-1-yl)-2,2-dimethylpropylidene]cyanamide;4-tert-butylbenzonitrile;2-tert-butyl-6-chloropyridine;2-tert-butyl-4-chloropyrimidine;tert-butylcyclobutane;tert-butylcyclopropane;3-tert-butyl-6-methylpyridazine;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methyl-4-(trifluoromethyl)pyridine;2-tert-butylpyridine;2-tert-butylpyridine-3-carbonitrile;1-cyclobutyl-2,2-dimethylpropan-1-one;1-cyclopentyl-2,2-dimethylpropan-1-one;1-cyclopropyl-2,2-dimethylpropan-1-one;bis(2,2-dimethylbutane);2,2-dimethyl-1-(oxolan-2-yl)propan-1-one;2,2-dimethylpentane;2,2-dimethylpropane;2,2-dimethylpropylbenzene;2,2-dimethylpropylcyclopropane;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one;1-(3-fluoro-3-methylpyrrolidin-1-yl)-2,2-dimethylpropan-1-one;2-methylpropane;2,2,5,5-tetramethylhexan-3-one;2,2,4,4-tetramethylpentane;2,2,4,4-tetramethylpentan-3-one;N,N,2,2-tetramethylpropanamide;2,2,3-trimethylbutane;2,2,4-trimethylhexane;2,2,5-trimethylhexane;2,2,4-trimethylpentane with MolForge

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Frequently Asked Questions

What is the IUPAC name of [1-(azetidin-1-yl)-2,2-dimethylpropylidene]cyanamide;4-tert-butylbenzonitrile;2-tert-butyl-6-chloropyridine;2-tert-butyl-4-chloropyrimidine;tert-butylcyclobutane;tert-butylcyclopropane;3-tert-butyl-6-methylpyridazine;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methyl-4-(trifluoromethyl)pyridine;2-tert-butylpyridine;2-tert-butylpyridine-3-carbonitrile;1-cyclobutyl-2,2-dimethylpropan-1-one;1-cyclopentyl-2,2-dimethylpropan-1-one;1-cyclopropyl-2,2-dimethylpropan-1-one;bis(2,2-dimethylbutane);2,2-dimethyl-1-(oxolan-2-yl)propan-1-one;2,2-dimethylpentane;2,2-dimethylpropane;2,2-dimethylpropylbenzene;2,2-dimethylpropylcyclopropane;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one;1-(3-fluoro-3-methylpyrrolidin-1-yl)-2,2-dimethylpropan-1-one;2-methylpropane;2,2,5,5-tetramethylhexan-3-one;2,2,4,4-tetramethylpentane;2,2,4,4-tetramethylpentan-3-one;N,N,2,2-tetramethylpropanamide;2,2,3-trimethylbutane;2,2,4-trimethylhexane;2,2,5-trimethylhexane;2,2,4-trimethylpentane?
The IUPAC name of [1-(azetidin-1-yl)-2,2-dimethylpropylidene]cyanamide;4-tert-butylbenzonitrile;2-tert-butyl-6-chloropyridine;2-tert-butyl-4-chloropyrimidine;tert-butylcyclobutane;tert-butylcyclopropane;3-tert-butyl-6-methylpyridazine;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methyl-4-(trifluoromethyl)pyridine;2-tert-butylpyridine;2-tert-butylpyridine-3-carbonitrile;1-cyclobutyl-2,2-dimethylpropan-1-one;1-cyclopentyl-2,2-dimethylpropan-1-one;1-cyclopropyl-2,2-dimethylpropan-1-one;bis(2,2-dimethylbutane);2,2-dimethyl-1-(oxolan-2-yl)propan-1-one;2,2-dimethylpentane;2,2-dimethylpropane;2,2-dimethylpropylbenzene;2,2-dimethylpropylcyclopropane;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one;1-(3-fluoro-3-methylpyrrolidin-1-yl)-2,2-dimethylpropan-1-one;2-methylpropane;2,2,5,5-tetramethylhexan-3-one;2,2,4,4-tetramethylpentane;2,2,4,4-tetramethylpentan-3-one;N,N,2,2-tetramethylpropanamide;2,2,3-trimethylbutane;2,2,4-trimethylhexane;2,2,5-trimethylhexane;2,2,4-trimethylpentane (CID 163524703) is [1-(azetidin-1-yl)-2,2-dimethylpropylidene]cyanamide;4-tert-butylbenzonitrile;2-tert-butyl-6-chloropyridine;2-tert-butyl-4-chloropyrimidine;tert-butylcyclobutane;tert-butylcyclopropane;3-tert-butyl-6-methylpyridazine;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methyl-4-(trifluoromethyl)pyridine;2-tert-butylpyridine;2-tert-butylpyridine-3-carbonitrile;1-cyclobutyl-2,2-dimethylpropan-1-one;1-cyclopentyl-2,2-dimethylpropan-1-one;1-cyclopropyl-2,2-dimethylpropan-1-one;bis(2,2-dimethylbutane);2,2-dimethyl-1-(oxolan-2-yl)propan-1-one;2,2-dimethylpentane;2,2-dimethylpropane;2,2-dimethylpropylbenzene;2,2-dimethylpropylcyclopropane;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one;1-(3-fluoro-3-methylpyrrolidin-1-yl)-2,2-dimethylpropan-1-one;2-methylpropane;2,2,5,5-tetramethylhexan-3-one;2,2,4,4-tetramethylpentane;2,2,4,4-tetramethylpentan-3-one;N,N,2,2-tetramethylpropanamide;2,2,3-trimethylbutane;2,2,4-trimethylhexane;2,2,5-trimethylhexane;2,2,4-trimethylpentane.
What is the SMILES notation for [1-(azetidin-1-yl)-2,2-dimethylpropylidene]cyanamide;4-tert-butylbenzonitrile;2-tert-butyl-6-chloropyridine;2-tert-butyl-4-chloropyrimidine;tert-butylcyclobutane;tert-butylcyclopropane;3-tert-butyl-6-methylpyridazine;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methyl-4-(trifluoromethyl)pyridine;2-tert-butylpyridine;2-tert-butylpyridine-3-carbonitrile;1-cyclobutyl-2,2-dimethylpropan-1-one;1-cyclopentyl-2,2-dimethylpropan-1-one;1-cyclopropyl-2,2-dimethylpropan-1-one;bis(2,2-dimethylbutane);2,2-dimethyl-1-(oxolan-2-yl)propan-1-one;2,2-dimethylpentane;2,2-dimethylpropane;2,2-dimethylpropylbenzene;2,2-dimethylpropylcyclopropane;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one;1-(3-fluoro-3-methylpyrrolidin-1-yl)-2,2-dimethylpropan-1-one;2-methylpropane;2,2,5,5-tetramethylhexan-3-one;2,2,4,4-tetramethylpentane;2,2,4,4-tetramethylpentan-3-one;N,N,2,2-tetramethylpropanamide;2,2,3-trimethylbutane;2,2,4-trimethylhexane;2,2,5-trimethylhexane;2,2,4-trimethylpentane?
The canonical SMILES for [1-(azetidin-1-yl)-2,2-dimethylpropylidene]cyanamide;4-tert-butylbenzonitrile;2-tert-butyl-6-chloropyridine;2-tert-butyl-4-chloropyrimidine;tert-butylcyclobutane;tert-butylcyclopropane;3-tert-butyl-6-methylpyridazine;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methyl-4-(trifluoromethyl)pyridine;2-tert-butylpyridine;2-tert-butylpyridine-3-carbonitrile;1-cyclobutyl-2,2-dimethylpropan-1-one;1-cyclopentyl-2,2-dimethylpropan-1-one;1-cyclopropyl-2,2-dimethylpropan-1-one;bis(2,2-dimethylbutane);2,2-dimethyl-1-(oxolan-2-yl)propan-1-one;2,2-dimethylpentane;2,2-dimethylpropane;2,2-dimethylpropylbenzene;2,2-dimethylpropylcyclopropane;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one;1-(3-fluoro-3-methylpyrrolidin-1-yl)-2,2-dimethylpropan-1-one;2-methylpropane;2,2,5,5-tetramethylhexan-3-one;2,2,4,4-tetramethylpentane;2,2,4,4-tetramethylpentan-3-one;N,N,2,2-tetramethylpropanamide;2,2,3-trimethylbutane;2,2,4-trimethylhexane;2,2,5-trimethylhexane;2,2,4-trimethylpentane is CC(C)(C)/C(=N/C#N)N1CCC1.CC(C)(C)C.CC(C)(C)C(=O)C(C)(C)C.CC(C)(C)C(=O)C1CC1.CC(C)(C)C(=O)C1CCC1.CC(C)(C)C(=O)C1CCCC1.CC(C)(C)C(=O)C1CCCO1.CC(C)(C)C(=O)N1CCCC1.CC(C)(C)C1CC1.CC(C)(C)C1CCC1.CC(C)(C)CC(=O)C(C)(C)C.CC(C)(C)CC(C)(C)C.CC(C)(C)CC1CC1.CC(C)(C)Cc1ccccc1.CC(C)(C)c1ccc(C#N)cc1.CC(C)(C)c1cccc(Cl)n1.CC(C)(C)c1ccccn1.CC(C)(C)c1nccc(Cl)n1.CC(C)(C)c1ncccc1C#N.CC(C)C.CC(C)C(C)(C)C.CC(C)CC(C)(C)C.CC(C)CCC(C)(C)C.CC1(F)CCN(C(=O)C(C)(C)C)C1.CCC(C)(C)C.CCC(C)(C)C.CCC(C)CC(C)(C)C.CCCC(C)(C)C.CN(C)C(=O)C(C)(C)C.Cc1cc(C(F)(F)F)cc(C(C)(C)C)n1.Cc1ccc(C(C)(C)C)nc1.Cc1ccc(C(C)(C)C)nn1.
What is the InChIKey of [1-(azetidin-1-yl)-2,2-dimethylpropylidene]cyanamide;4-tert-butylbenzonitrile;2-tert-butyl-6-chloropyridine;2-tert-butyl-4-chloropyrimidine;tert-butylcyclobutane;tert-butylcyclopropane;3-tert-butyl-6-methylpyridazine;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methyl-4-(trifluoromethyl)pyridine;2-tert-butylpyridine;2-tert-butylpyridine-3-carbonitrile;1-cyclobutyl-2,2-dimethylpropan-1-one;1-cyclopentyl-2,2-dimethylpropan-1-one;1-cyclopropyl-2,2-dimethylpropan-1-one;bis(2,2-dimethylbutane);2,2-dimethyl-1-(oxolan-2-yl)propan-1-one;2,2-dimethylpentane;2,2-dimethylpropane;2,2-dimethylpropylbenzene;2,2-dimethylpropylcyclopropane;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one;1-(3-fluoro-3-methylpyrrolidin-1-yl)-2,2-dimethylpropan-1-one;2-methylpropane;2,2,5,5-tetramethylhexan-3-one;2,2,4,4-tetramethylpentane;2,2,4,4-tetramethylpentan-3-one;N,N,2,2-tetramethylpropanamide;2,2,3-trimethylbutane;2,2,4-trimethylhexane;2,2,5-trimethylhexane;2,2,4-trimethylpentane?
The InChIKey is DNTNTHCMLRHFSW-KQDPJDFCSA-N. The full InChI is InChI=1S/C11H14F3N.C11H13N.C11H16.C10H18FNO.C10H12N2.C10H15N.C10H18O.C10H20O.C9H12ClN.C9H15N3.C9H14N2.C9H17NO.C9H13N.C9H16O2.C9H16O.C9H18O.3C9H20.C8H11ClN2.C8H14O.2C8H16.C8H18.C7H15NO.C7H14.2C7H16.2C6H14.C5H12.C4H10/c1-7-5-8(11(12,13)14)6-9(15-7)10(2,3)4;1-11(2,3)10-6-4-9(8-12)5-7-10;1-11(2,3)9-10-7-5-4-6-8-10;1-9(2,3)8(13)12-6-5-10(4,11)7-12;1-10(2,3)9-8(7-11)5-4-6-12-9;1-8-5-6-9(11-7-8)10(2,3)4;1-10(2,3)9(11)8-6-4-5-7-8;1-9(2,3)7-8(11)10(4,5)6;1-9(2,3)7-5-4-6-8(10)11-7;1-9(2,3)8(11-7-10)12-5-4-6-12;1-7-5-6-8(11-10-7)9(2,3)4;1-9(2,3)8(11)10-6-4-5-7-10;1-9(2,3)8-6-4-5-7-10-8;1-9(2,3)8(10)7-5-4-6-11-7;1-9(2,3)8(10)7-5-4-6-7;1-8(2,3)7(10)9(4,5)6;1-8(2,3)7-9(4,5)6;1-8(2)6-7-9(3,4)5;1-6-8(2)7-9(3,4)5;1-8(2,3)7-10-5-4-6(9)11-7;1-8(2,3)7(9)6-4-5-6;1-8(2,3)6-7-4-5-7;1-8(2,3)7-5-4-6-7;1-7(2)6-8(3,4)5;1-7(2,3)6(9)8(4)5;1-7(2,3)6-4-5-6;1-6(2)7(3,4)5;1-5-6-7(2,3)4;2*1-5-6(2,3)4;1-5(2,3)4;1-4(2)3/h5-6H,1-4H3;4-7H,1-3H3;4-8H,9H2,1-3H3;5-7H2,1-4H3;4-6H,1-3H3;5-7H,1-4H3;8H,4-7H2,1-3H3;7H2,1-6H3;4-6H,1-3H3;4-6H2,1-3H3;5-6H,1-4H3;4-7H2,1-3H3;4-7H,1-3H3;7H,4-6H2,1-3H3;7H,4-6H2,1-3H3;1-6H3;7H2,1-6H3;2*8H,6-7H2,1-5H3;4-5H,1-3H3;6H,4-5H2,1-3H3;2*7H,4-6H2,1-3H3;7H,6H2,1-5H3;1-5H3;6H,4-5H2,1-3H3;6H,1-5H3;5-6H2,1-4H3;2*5H2,1-4H3;1-4H3;4H,1-3H3/b;;;;;;;;;11-8-;;;;;;;;;;;;;;;;;;;;;;.
What are the key properties of [1-(azetidin-1-yl)-2,2-dimethylpropylidene]cyanamide;4-tert-butylbenzonitrile;2-tert-butyl-6-chloropyridine;2-tert-butyl-4-chloropyrimidine;tert-butylcyclobutane;tert-butylcyclopropane;3-tert-butyl-6-methylpyridazine;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methyl-4-(trifluoromethyl)pyridine;2-tert-butylpyridine;2-tert-butylpyridine-3-carbonitrile;1-cyclobutyl-2,2-dimethylpropan-1-one;1-cyclopentyl-2,2-dimethylpropan-1-one;1-cyclopropyl-2,2-dimethylpropan-1-one;bis(2,2-dimethylbutane);2,2-dimethyl-1-(oxolan-2-yl)propan-1-one;2,2-dimethylpentane;2,2-dimethylpropane;2,2-dimethylpropylbenzene;2,2-dimethylpropylcyclopropane;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one;1-(3-fluoro-3-methylpyrrolidin-1-yl)-2,2-dimethylpropan-1-one;2-methylpropane;2,2,5,5-tetramethylhexan-3-one;2,2,4,4-tetramethylpentane;2,2,4,4-tetramethylpentan-3-one;N,N,2,2-tetramethylpropanamide;2,2,3-trimethylbutane;2,2,4-trimethylhexane;2,2,5-trimethylhexane;2,2,4-trimethylpentane?
[1-(azetidin-1-yl)-2,2-dimethylpropylidene]cyanamide;4-tert-butylbenzonitrile;2-tert-butyl-6-chloropyridine;2-tert-butyl-4-chloropyrimidine;tert-butylcyclobutane;tert-butylcyclopropane;3-tert-butyl-6-methylpyridazine;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methyl-4-(trifluoromethyl)pyridine;2-tert-butylpyridine;2-tert-butylpyridine-3-carbonitrile;1-cyclobutyl-2,2-dimethylpropan-1-one;1-cyclopentyl-2,2-dimethylpropan-1-one;1-cyclopropyl-2,2-dimethylpropan-1-one;bis(2,2-dimethylbutane);2,2-dimethyl-1-(oxolan-2-yl)propan-1-one;2,2-dimethylpentane;2,2-dimethylpropane;2,2-dimethylpropylbenzene;2,2-dimethylpropylcyclopropane;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one;1-(3-fluoro-3-methylpyrrolidin-1-yl)-2,2-dimethylpropan-1-one;2-methylpropane;2,2,5,5-tetramethylhexan-3-one;2,2,4,4-tetramethylpentane;2,2,4,4-tetramethylpentan-3-one;N,N,2,2-tetramethylpropanamide;2,2,3-trimethylbutane;2,2,4-trimethylhexane;2,2,5-trimethylhexane;2,2,4-trimethylpentane has a molecular weight of 4296.93 g/mol, XLogP of 81.47, 13 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(azetidin-1-yl)-2,2-dimethylpropylidene]cyanamide;4-tert-butylbenzonitrile;2-tert-butyl-6-chloropyridine;2-tert-butyl-4-chloropyrimidine;tert-butylcyclobutane;tert-butylcyclopropane;3-tert-butyl-6-methylpyridazine;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methyl-4-(trifluoromethyl)pyridine;2-tert-butylpyridine;2-tert-butylpyridine-3-carbonitrile;1-cyclobutyl-2,2-dimethylpropan-1-one;1-cyclopentyl-2,2-dimethylpropan-1-one;1-cyclopropyl-2,2-dimethylpropan-1-one;bis(2,2-dimethylbutane);2,2-dimethyl-1-(oxolan-2-yl)propan-1-one;2,2-dimethylpentane;2,2-dimethylpropane;2,2-dimethylpropylbenzene;2,2-dimethylpropylcyclopropane;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one;1-(3-fluoro-3-methylpyrrolidin-1-yl)-2,2-dimethylpropan-1-one;2-methylpropane;2,2,5,5-tetramethylhexan-3-one;2,2,4,4-tetramethylpentane;2,2,4,4-tetramethylpentan-3-one;N,N,2,2-tetramethylpropanamide;2,2,3-trimethylbutane;2,2,4-trimethylhexane;2,2,5-trimethylhexane;2,2,4-trimethylpentane is sourced from PubChem (CID 163524703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).