N-benzyl-2-methylpropanamide;N-tert-butyl-2-methylpropanamide;N-(cyclohexylmethyl)-2-methylpropanamide;N-cyclohexyl-2-methylpropanamide;N-cyclopentyl-2-methylpropanamide;N,3-dimethylbut-1-en-2-amine;N-ethyl-2-methylpropanamide;2-methyl-N-propan-2-ylpropanamide;N,N,3-trimethylbut-1-en-2-amine

C75H145N9O7 — CID 158784677

IUPACN-benzyl-2-methylpropanamide;N-tert-butyl-2-methylpropanamide;N-(cyclohexylmethyl)-2-methylpropanamide;N-cyclohexyl-2-methylpropanamide;N-cyclopentyl-2-methylpropanamide;N,3-dimethylbut-1-en-2-amine;N-ethyl-2-methylpropanamide;2-methyl-N-propan-2-ylpropanamide;N,N,3-trimethylbut-1-en-2-amine
SMILESC=C(C(C)C)N(C)C.C=C(NC)C(C)C.CC(C)C(=O)NC(C)(C)C.CC(C)C(=O)NC1CCCC1.CC(C)C(=O)NC1CCCCC1.CC(C)C(=O)NCC1CCCCC1.CC(C)C(=O)NCc1ccccc1.CC(C)NC(=O)C(C)C.CCNC(=O)C(C)C
InChIInChI=1S/C11H21NO.C11H15NO.C10H19NO.C9H17NO.C8H17NO.C7H15NO.C7H15N.C6H13NO.C6H13N/c2*1-9(2)11(13)12-8-10-6-4-3-5-7-10;1-8(2)10(12)11-9-6-4-3-5-7-9;1-7(2)9(11)10-8-5-3-4-6-8;1-6(2)7(10)9-8(3,4)5;1-5(2)7(9)8-6(3)4;1-6(2)7(3)8(4)5;1-4-7-6(8)5(2)3;1-5(2)6(3)7-4/h9-10H,3-8H2,1-2H3,(H,12,13);3-7,9H,8H2,1-2H3,(H,12,13);8-9H,3-7H2,1-2H3,(H,11,12);7-8H,3-6H2,1-2H3,(H,10,11);6H,1-5H3,(H,9,10);5-6H,1-4H3,(H,8,9);6H,3H2,1-2,4-5H3;5H,4H2,1-3H3,(H,7,8);5,7H,3H2,1-2,4H3
InChIKeyIRNHPZQXLDBNHA-UHFFFAOYSA-N
MW1285.04 g/mol
LogP14.69
Rot. Bonds19

About N-benzyl-2-methylpropanamide;N-tert-butyl-2-methylpropanamide;N-(cyclohexylmethyl)-2-methylpropanamide;N-cyclohexyl-2-methylpropanamide;N-cyclopentyl-2-methylpropanamide;N,3-dimethylbut-1-en-2-amine;N-ethyl-2-methylpropanamide;2-methyl-N-propan-2-ylpropanamide;N,N,3-trimethylbut-1-en-2-amine

N-benzyl-2-methylpropanamide;N-tert-butyl-2-methylpropanamide;N-(cyclohexylmethyl)-2-methylpropanamide;N-cyclohexyl-2-methylpropanamide;N-cyclopentyl-2-methylpropanamide;N,3-dimethylbut-1-en-2-amine;N-ethyl-2-methylpropanamide;2-methyl-N-propan-2-ylpropanamide;N,N,3-trimethylbut-1-en-2-amine (PubChem CID 158784677) has the molecular formula C75H145N9O7 and a molecular weight of 1285.04 g/mol. Its IUPAC name is N-benzyl-2-methylpropanamide;N-tert-butyl-2-methylpropanamide;N-(cyclohexylmethyl)-2-methylpropanamide;N-cyclohexyl-2-methylpropanamide;N-cyclopentyl-2-methylpropanamide;N,3-dimethylbut-1-en-2-amine;N-ethyl-2-methylpropanamide;2-methyl-N-propan-2-ylpropanamide;N,N,3-trimethylbut-1-en-2-amine.

Molecular Properties

Compound NameN-benzyl-2-methylpropanamide;N-tert-butyl-2-methylpropanamide;N-(cyclohexylmethyl)-2-methylpropanamide;N-cyclohexyl-2-methylpropanamide;N-cyclopentyl-2-methylpropanamide;N,3-dimethylbut-1-en-2-amine;N-ethyl-2-methylpropanamide;2-methyl-N-propan-2-ylpropanamide;N,N,3-trimethylbut-1-en-2-amine
PubChem CID158784677
Molecular FormulaC75H145N9O7
Molecular Weight1285.04 g/mol
Exact Mass1284.13
IUPAC NameN-benzyl-2-methylpropanamide;N-tert-butyl-2-methylpropanamide;N-(cyclohexylmethyl)-2-methylpropanamide;N-cyclohexyl-2-methylpropanamide;N-cyclopentyl-2-methylpropanamide;N,3-dimethylbut-1-en-2-amine;N-ethyl-2-methylpropanamide;2-methyl-N-propan-2-ylpropanamide;N,N,3-trimethylbut-1-en-2-amine
SMILESC=C(C(C)C)N(C)C.C=C(NC)C(C)C.CC(C)C(=O)NC(C)(C)C.CC(C)C(=O)NC1CCCC1.CC(C)C(=O)NC1CCCCC1.CC(C)C(=O)NCC1CCCCC1.CC(C)C(=O)NCc1ccccc1.CC(C)NC(=O)C(C)C.CCNC(=O)C(C)C
InChIInChI=1S/C11H21NO.C11H15NO.C10H19NO.C9H17NO.C8H17NO.C7H15NO.C7H15N.C6H13NO.C6H13N/c2*1-9(2)11(13)12-8-10-6-4-3-5-7-10;1-8(2)10(12)11-9-6-4-3-5-7-9;1-7(2)9(11)10-8-5-3-4-6-8;1-6(2)7(10)9-8(3,4)5;1-5(2)7(9)8-6(3)4;1-6(2)7(3)8(4)5;1-4-7-6(8)5(2)3;1-5(2)6(3)7-4/h9-10H,3-8H2,1-2H3,(H,12,13);3-7,9H,8H2,1-2H3,(H,12,13);8-9H,3-7H2,1-2H3,(H,11,12);7-8H,3-6H2,1-2H3,(H,10,11);6H,1-5H3,(H,9,10);5-6H,1-4H3,(H,8,9);6H,3H2,1-2,4-5H3;5H,4H2,1-3H3,(H,7,8);5,7H,3H2,1-2,4H3
InChIKeyIRNHPZQXLDBNHA-UHFFFAOYSA-N
XLogP14.69
TPSA218.97 Ų
H-Bond Donors8
H-Bond Acceptors9
Rotatable Bonds19
Heavy Atoms91
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001285.04
LogP ≤ 514.69
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 109

Analyze N-benzyl-2-methylpropanamide;N-tert-butyl-2-methylpropanamide;N-(cyclohexylmethyl)-2-methylpropanamide;N-cyclohexyl-2-methylpropanamide;N-cyclopentyl-2-methylpropanamide;N,3-dimethylbut-1-en-2-amine;N-ethyl-2-methylpropanamide;2-methyl-N-propan-2-ylpropanamide;N,N,3-trimethylbut-1-en-2-amine with MolForge

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Related Compounds

N-benzyl-2-methylpropanamide;N-tert-butyl-3-methylbut-1-en-2-amine;N-(cyclohexylmethyl)-3-methylbut-1-en-2-amine;N,3-dimethylbut-1-en-2-amine;N-ethyl-3-methylbut-1-en-2-amine;N-(3-methylbut-1-en-2-yl)cyclohexanamine;N-(3-methylbut-1-en-2-yl)cyclopentanamine;2-methyl-N-propan-2-ylpropanamide;N,N,3-trimethylbut-1-en-2-amine
CID 157340986
N-benzyl-2-methylpropanamide;N-tert-butyl-3-methylbut-1-en-2-amine;N-(cyclohexylmethyl)-3-methylbut-1-en-2-amine;N-cyclohexyl-2-methylpropanamide;N,3-dimethylbut-1-en-2-amine;N-ethyl-3-methylbut-1-en-2-amine;N-(3-methylbut-1-en-2-yl)cyclopentanamine;3-methyl-N-propan-2-ylbut-1-en-2-amine;N,N,3-trimethylbut-1-en-2-amine
CID 160823544
N-benzyl-2-(cyclohexylcarbamoylamino)propanamide
CID 60573206
N-benzyl-2,2-dimethylpropanamide;N-cyclopentyl-2,2-dimethylpropanamide;2,2-dimethyl-N-phenylpropanamide;2,2-dimethylpropanamide;2,2-dimethyl-N-propan-2-ylpropanamide;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one;N-ethyl-2,2-dimethylpropanamide;N,N,2,2-tetramethylpropanamide;N,2,2-trimethylpropanamide
CID 157295134
N-benzyl-2-methylpropanamide;methane
CID 160760567
methyl 4-[[[4-(benzylamino)-2,3-dihydroxy-4-oxobutanoyl]amino]methyl]cyclohexane-1-carboxylate
CID 68786677
4-[[[(2R,3R)-4-(benzylamino)-2,3-dihydroxy-4-oxobutanoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 25003957
N-(cyclopentylmethyl)-2-methylpropanamide;ethane
CID 176960669
bis[3-[benzylcarbamoyl(methyl)amino]propyl] (E)-but-2-enedioate;bis[3-[tert-butylcarbamoyl(methyl)amino]propyl] (E)-but-2-enedioate;bis[3-[cyclohexylcarbamoyl(methyl)amino]propyl] (E)-but-2-enedioate;bis[3-[cyclohexylmethylcarbamoyl(methyl)amino]propyl] (E)-but-2-enedioate;bis[3-(diethylcarbamoylamino)propyl] (E)-but-2-enedioate;bis[3-[methyl(phenylcarbamoyl)amino]propyl] (E)-but-2-enedioate;bis[3-[methyl(propan-2-ylcarbamoyl)amino]propyl] (E)-but-2-enedioate;bis[3-(piperidine-1-carbonylamino)propyl] (E)-but-2-enedioate
CID 161405444
(2R)-N-(cyclohexylmethyl)-2-(dimethylamino)-2-phenylacetamide
CID 100566223
N-(cycloheptylmethyl)-2-phenylacetamide
CID 54313529
(2S)-N-(cyclohexylmethyl)-2-phenoxypropanamide
CID 95900718

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-methylpropanamide;N-tert-butyl-2-methylpropanamide;N-(cyclohexylmethyl)-2-methylpropanamide;N-cyclohexyl-2-methylpropanamide;N-cyclopentyl-2-methylpropanamide;N,3-dimethylbut-1-en-2-amine;N-ethyl-2-methylpropanamide;2-methyl-N-propan-2-ylpropanamide;N,N,3-trimethylbut-1-en-2-amine?
The IUPAC name of N-benzyl-2-methylpropanamide;N-tert-butyl-2-methylpropanamide;N-(cyclohexylmethyl)-2-methylpropanamide;N-cyclohexyl-2-methylpropanamide;N-cyclopentyl-2-methylpropanamide;N,3-dimethylbut-1-en-2-amine;N-ethyl-2-methylpropanamide;2-methyl-N-propan-2-ylpropanamide;N,N,3-trimethylbut-1-en-2-amine (CID 158784677) is N-benzyl-2-methylpropanamide;N-tert-butyl-2-methylpropanamide;N-(cyclohexylmethyl)-2-methylpropanamide;N-cyclohexyl-2-methylpropanamide;N-cyclopentyl-2-methylpropanamide;N,3-dimethylbut-1-en-2-amine;N-ethyl-2-methylpropanamide;2-methyl-N-propan-2-ylpropanamide;N,N,3-trimethylbut-1-en-2-amine.
What is the SMILES notation for N-benzyl-2-methylpropanamide;N-tert-butyl-2-methylpropanamide;N-(cyclohexylmethyl)-2-methylpropanamide;N-cyclohexyl-2-methylpropanamide;N-cyclopentyl-2-methylpropanamide;N,3-dimethylbut-1-en-2-amine;N-ethyl-2-methylpropanamide;2-methyl-N-propan-2-ylpropanamide;N,N,3-trimethylbut-1-en-2-amine?
The canonical SMILES for N-benzyl-2-methylpropanamide;N-tert-butyl-2-methylpropanamide;N-(cyclohexylmethyl)-2-methylpropanamide;N-cyclohexyl-2-methylpropanamide;N-cyclopentyl-2-methylpropanamide;N,3-dimethylbut-1-en-2-amine;N-ethyl-2-methylpropanamide;2-methyl-N-propan-2-ylpropanamide;N,N,3-trimethylbut-1-en-2-amine is C=C(C(C)C)N(C)C.C=C(NC)C(C)C.CC(C)C(=O)NC(C)(C)C.CC(C)C(=O)NC1CCCC1.CC(C)C(=O)NC1CCCCC1.CC(C)C(=O)NCC1CCCCC1.CC(C)C(=O)NCc1ccccc1.CC(C)NC(=O)C(C)C.CCNC(=O)C(C)C.
What is the InChIKey of N-benzyl-2-methylpropanamide;N-tert-butyl-2-methylpropanamide;N-(cyclohexylmethyl)-2-methylpropanamide;N-cyclohexyl-2-methylpropanamide;N-cyclopentyl-2-methylpropanamide;N,3-dimethylbut-1-en-2-amine;N-ethyl-2-methylpropanamide;2-methyl-N-propan-2-ylpropanamide;N,N,3-trimethylbut-1-en-2-amine?
The InChIKey is IRNHPZQXLDBNHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO.C11H15NO.C10H19NO.C9H17NO.C8H17NO.C7H15NO.C7H15N.C6H13NO.C6H13N/c2*1-9(2)11(13)12-8-10-6-4-3-5-7-10;1-8(2)10(12)11-9-6-4-3-5-7-9;1-7(2)9(11)10-8-5-3-4-6-8;1-6(2)7(10)9-8(3,4)5;1-5(2)7(9)8-6(3)4;1-6(2)7(3)8(4)5;1-4-7-6(8)5(2)3;1-5(2)6(3)7-4/h9-10H,3-8H2,1-2H3,(H,12,13);3-7,9H,8H2,1-2H3,(H,12,13);8-9H,3-7H2,1-2H3,(H,11,12);7-8H,3-6H2,1-2H3,(H,10,11);6H,1-5H3,(H,9,10);5-6H,1-4H3,(H,8,9);6H,3H2,1-2,4-5H3;5H,4H2,1-3H3,(H,7,8);5,7H,3H2,1-2,4H3.
What are the key properties of N-benzyl-2-methylpropanamide;N-tert-butyl-2-methylpropanamide;N-(cyclohexylmethyl)-2-methylpropanamide;N-cyclohexyl-2-methylpropanamide;N-cyclopentyl-2-methylpropanamide;N,3-dimethylbut-1-en-2-amine;N-ethyl-2-methylpropanamide;2-methyl-N-propan-2-ylpropanamide;N,N,3-trimethylbut-1-en-2-amine?
N-benzyl-2-methylpropanamide;N-tert-butyl-2-methylpropanamide;N-(cyclohexylmethyl)-2-methylpropanamide;N-cyclohexyl-2-methylpropanamide;N-cyclopentyl-2-methylpropanamide;N,3-dimethylbut-1-en-2-amine;N-ethyl-2-methylpropanamide;2-methyl-N-propan-2-ylpropanamide;N,N,3-trimethylbut-1-en-2-amine has a molecular weight of 1285.04 g/mol, XLogP of 14.69, 19 rotatable bonds, 8 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-methylpropanamide;N-tert-butyl-2-methylpropanamide;N-(cyclohexylmethyl)-2-methylpropanamide;N-cyclohexyl-2-methylpropanamide;N-cyclopentyl-2-methylpropanamide;N,3-dimethylbut-1-en-2-amine;N-ethyl-2-methylpropanamide;2-methyl-N-propan-2-ylpropanamide;N,N,3-trimethylbut-1-en-2-amine is sourced from PubChem (CID 158784677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).