N-tert-butyl-2,2-dimethylpropanamide;1-(4-tert-butylpiperidin-1-yl)-2,2-dimethylpropan-1-one;1,3-ditert-butylcyclobutane;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;2,2-dimethyl-1-piperazin-1-ylpropan-1-one;2-methylpropane

C73H151N7O3 — CID 163831962

IUPACN-tert-butyl-2,2-dimethylpropanamide;1-(4-tert-butylpiperidin-1-yl)-2,2-dimethylpropan-1-one;1,3-ditert-butylcyclobutane;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;2,2-dimethyl-1-piperazin-1-ylpropan-1-one;2-methylpropane
SMILESCC(C)(C)C(=O)N1CCC(C(C)(C)C)CC1.CC(C)(C)C(=O)N1CCNCC1.CC(C)(C)C1CC(C(C)(C)C)C1.CC(C)(C)C1CCN(C(C)(C)C)CC1.CC(C)(C)N1CCN(C(C)(C)C)CC1.CC(C)(C)NC(=O)C(C)(C)C.CC(C)C
InChIInChI=1S/C14H27NO.C13H27N.C12H26N2.C12H24.C9H18N2O.C9H19NO.C4H10/c1-13(2,3)11-7-9-15(10-8-11)12(16)14(4,5)6;1-12(2,3)11-7-9-14(10-8-11)13(4,5)6;1-11(2,3)13-7-9-14(10-8-13)12(4,5)6;1-11(2,3)9-7-10(8-9)12(4,5)6;1-9(2,3)8(12)11-6-4-10-5-7-11;1-8(2,3)7(11)10-9(4,5)6;1-4(2)3/h11H,7-10H2,1-6H3;11H,7-10H2,1-6H3;7-10H2,1-6H3;9-10H,7-8H2,1-6H3;10H,4-7H2,1-3H3;1-6H3,(H,10,11);4H,1-3H3
InChIKeyOEJBBZHAJCUMBJ-UHFFFAOYSA-N
MW1175.06 g/mol
LogP17.24
Rot. Bonds

About N-tert-butyl-2,2-dimethylpropanamide;1-(4-tert-butylpiperidin-1-yl)-2,2-dimethylpropan-1-one;1,3-ditert-butylcyclobutane;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;2,2-dimethyl-1-piperazin-1-ylpropan-1-one;2-methylpropane

N-tert-butyl-2,2-dimethylpropanamide;1-(4-tert-butylpiperidin-1-yl)-2,2-dimethylpropan-1-one;1,3-ditert-butylcyclobutane;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;2,2-dimethyl-1-piperazin-1-ylpropan-1-one;2-methylpropane (PubChem CID 163831962) has the molecular formula C73H151N7O3 and a molecular weight of 1175.06 g/mol. Its IUPAC name is N-tert-butyl-2,2-dimethylpropanamide;1-(4-tert-butylpiperidin-1-yl)-2,2-dimethylpropan-1-one;1,3-ditert-butylcyclobutane;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;2,2-dimethyl-1-piperazin-1-ylpropan-1-one;2-methylpropane.

Molecular Properties

Compound NameN-tert-butyl-2,2-dimethylpropanamide;1-(4-tert-butylpiperidin-1-yl)-2,2-dimethylpropan-1-one;1,3-ditert-butylcyclobutane;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;2,2-dimethyl-1-piperazin-1-ylpropan-1-one;2-methylpropane
PubChem CID163831962
Molecular FormulaC73H151N7O3
Molecular Weight1175.06 g/mol
Exact Mass1174.19
IUPAC NameN-tert-butyl-2,2-dimethylpropanamide;1-(4-tert-butylpiperidin-1-yl)-2,2-dimethylpropan-1-one;1,3-ditert-butylcyclobutane;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;2,2-dimethyl-1-piperazin-1-ylpropan-1-one;2-methylpropane
SMILESCC(C)(C)C(=O)N1CCC(C(C)(C)C)CC1.CC(C)(C)C(=O)N1CCNCC1.CC(C)(C)C1CC(C(C)(C)C)C1.CC(C)(C)C1CCN(C(C)(C)C)CC1.CC(C)(C)N1CCN(C(C)(C)C)CC1.CC(C)(C)NC(=O)C(C)(C)C.CC(C)C
InChIInChI=1S/C14H27NO.C13H27N.C12H26N2.C12H24.C9H18N2O.C9H19NO.C4H10/c1-13(2,3)11-7-9-15(10-8-11)12(16)14(4,5)6;1-12(2,3)11-7-9-14(10-8-11)13(4,5)6;1-11(2,3)13-7-9-14(10-8-13)12(4,5)6;1-11(2,3)9-7-10(8-9)12(4,5)6;1-9(2,3)8(12)11-6-4-10-5-7-11;1-8(2,3)7(11)10-9(4,5)6;1-4(2)3/h11H,7-10H2,1-6H3;11H,7-10H2,1-6H3;7-10H2,1-6H3;9-10H,7-8H2,1-6H3;10H,4-7H2,1-3H3;1-6H3,(H,10,11);4H,1-3H3
InChIKeyOEJBBZHAJCUMBJ-UHFFFAOYSA-N
XLogP17.24
TPSA91.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms83
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001175.06
LogP ≤ 517.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-tert-butyl-2,2-dimethylpropanamide;1-(4-tert-butylpiperidin-1-yl)-2,2-dimethylpropan-1-one;1,3-ditert-butylcyclobutane;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;2,2-dimethyl-1-piperazin-1-ylpropan-1-one;2-methylpropane with MolForge

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Related Compounds

3,3-Dimethyl-1-[4-[3-[1-[3-[4-(3-piperidin-4-ylpropyl)piperidin-1-yl]propanoyl]piperidin-4-yl]propyl]piperidin-1-yl]butan-1-one
CID 132059289
3,3-Dimethyl-1-[4-[3-[1-[3-(4-piperidin-4-ylpiperidin-1-yl)propanoyl]piperidin-4-yl]propyl]piperidin-1-yl]butan-1-one
CID 132059291
3,3,5,5-Tetramethyl-1-[2-[3,3,5,5-tetramethyl-6-oxo-2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)piperazin-1-yl]ethyl]-6,6-bis(2,2,6,6-tetramethylpiperidin-4-yl)piperazin-2-one
CID 158374000
1-[4-(tert-butylamino)piperidin-1-yl]-2,2-dimethylpropan-1-one;1-[4-[tert-butyl(methyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one;1-(4-tert-butylpiperazin-1-yl)-2,2-dimethylpropan-1-one;1-(4-tert-butylpiperidin-1-yl)-2,2-dimethylpropan-1-one;N-(1-tert-butylpyrrolidin-3-yl)-N,2,2-trimethylpropanamide;methane
CID 159799361
N-tert-butyl-4,4-dimethylpentan-1-amine;(3S)-1-tert-butyl-3-methylpiperidine;(3R)-1-tert-butyl-3-methylpiperidine;1-(4-tert-butylpiperidin-1-yl)-3,3-dimethylbutan-1-one;1-(4-tert-butylpiperidin-1-yl)-4,4-dimethylpentan-1-one;N,N'-ditert-butylpropane-1,3-diamine;ethane
CID 159874629
2-methyl-N-[[1-[2-[4-[5-[4-[3-[2-[(2-methylpropanoylamino)methyl]-6-azaspiro[2.5]octan-6-yl]propyl]piperazin-1-yl]pentan-2-yl]piperazin-1-yl]ethyl]piperidin-4-yl]methyl]butanamide
CID 169586094
2-Methyl-1-[4-[2-[4-(2-piperidin-4-ylethyl)piperidin-2-yl]piperidin-4-yl]piperidin-1-yl]propan-1-one
CID 172604583

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2,2-dimethylpropanamide;1-(4-tert-butylpiperidin-1-yl)-2,2-dimethylpropan-1-one;1,3-ditert-butylcyclobutane;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;2,2-dimethyl-1-piperazin-1-ylpropan-1-one;2-methylpropane?
The IUPAC name of N-tert-butyl-2,2-dimethylpropanamide;1-(4-tert-butylpiperidin-1-yl)-2,2-dimethylpropan-1-one;1,3-ditert-butylcyclobutane;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;2,2-dimethyl-1-piperazin-1-ylpropan-1-one;2-methylpropane (CID 163831962) is N-tert-butyl-2,2-dimethylpropanamide;1-(4-tert-butylpiperidin-1-yl)-2,2-dimethylpropan-1-one;1,3-ditert-butylcyclobutane;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;2,2-dimethyl-1-piperazin-1-ylpropan-1-one;2-methylpropane.
What is the SMILES notation for N-tert-butyl-2,2-dimethylpropanamide;1-(4-tert-butylpiperidin-1-yl)-2,2-dimethylpropan-1-one;1,3-ditert-butylcyclobutane;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;2,2-dimethyl-1-piperazin-1-ylpropan-1-one;2-methylpropane?
The canonical SMILES for N-tert-butyl-2,2-dimethylpropanamide;1-(4-tert-butylpiperidin-1-yl)-2,2-dimethylpropan-1-one;1,3-ditert-butylcyclobutane;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;2,2-dimethyl-1-piperazin-1-ylpropan-1-one;2-methylpropane is CC(C)(C)C(=O)N1CCC(C(C)(C)C)CC1.CC(C)(C)C(=O)N1CCNCC1.CC(C)(C)C1CC(C(C)(C)C)C1.CC(C)(C)C1CCN(C(C)(C)C)CC1.CC(C)(C)N1CCN(C(C)(C)C)CC1.CC(C)(C)NC(=O)C(C)(C)C.CC(C)C.
What is the InChIKey of N-tert-butyl-2,2-dimethylpropanamide;1-(4-tert-butylpiperidin-1-yl)-2,2-dimethylpropan-1-one;1,3-ditert-butylcyclobutane;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;2,2-dimethyl-1-piperazin-1-ylpropan-1-one;2-methylpropane?
The InChIKey is OEJBBZHAJCUMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO.C13H27N.C12H26N2.C12H24.C9H18N2O.C9H19NO.C4H10/c1-13(2,3)11-7-9-15(10-8-11)12(16)14(4,5)6;1-12(2,3)11-7-9-14(10-8-11)13(4,5)6;1-11(2,3)13-7-9-14(10-8-13)12(4,5)6;1-11(2,3)9-7-10(8-9)12(4,5)6;1-9(2,3)8(12)11-6-4-10-5-7-11;1-8(2,3)7(11)10-9(4,5)6;1-4(2)3/h11H,7-10H2,1-6H3;11H,7-10H2,1-6H3;7-10H2,1-6H3;9-10H,7-8H2,1-6H3;10H,4-7H2,1-3H3;1-6H3,(H,10,11);4H,1-3H3.
What are the key properties of N-tert-butyl-2,2-dimethylpropanamide;1-(4-tert-butylpiperidin-1-yl)-2,2-dimethylpropan-1-one;1,3-ditert-butylcyclobutane;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;2,2-dimethyl-1-piperazin-1-ylpropan-1-one;2-methylpropane?
N-tert-butyl-2,2-dimethylpropanamide;1-(4-tert-butylpiperidin-1-yl)-2,2-dimethylpropan-1-one;1,3-ditert-butylcyclobutane;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;2,2-dimethyl-1-piperazin-1-ylpropan-1-one;2-methylpropane has a molecular weight of 1175.06 g/mol, XLogP of 17.24, 0 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2,2-dimethylpropanamide;1-(4-tert-butylpiperidin-1-yl)-2,2-dimethylpropan-1-one;1,3-ditert-butylcyclobutane;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;2,2-dimethyl-1-piperazin-1-ylpropan-1-one;2-methylpropane is sourced from PubChem (CID 163831962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).