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

C80H155N9O2 — CID 160823544

IUPACN-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
SMILESC=C(C(C)C)N(C)C.C=C(NC(C)(C)C)C(C)C.C=C(NC(C)C)C(C)C.C=C(NC)C(C)C.C=C(NC1CCCC1)C(C)C.C=C(NCC)C(C)C.C=C(NCC1CCCCC1)C(C)C.CC(C)C(=O)NC1CCCCC1.CC(C)C(=O)NCc1ccccc1
InChIInChI=1S/C12H23N.C11H15NO.C10H19NO.C10H19N.C9H19N.C8H17N.2C7H15N.C6H13N/c1-10(2)11(3)13-9-12-7-5-4-6-8-12;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;1-8(2)9(3)11-10-6-4-5-7-10;1-7(2)8(3)10-9(4,5)6;1-6(2)8(5)9-7(3)4;1-6(2)7(3)8(4)5;1-5-8-7(4)6(2)3;1-5(2)6(3)7-4/h10,12-13H,3-9H2,1-2H3;3-7,9H,8H2,1-2H3,(H,12,13);8-9H,3-7H2,1-2H3,(H,11,12);8,10-11H,3-7H2,1-2H3;7,10H,3H2,1-2,4-6H3;6-7,9H,5H2,1-4H3;6H,3H2,1-2,4-5H3;6,8H,4-5H2,1-3H3;5,7H,3H2,1-2,4H3
InChIKeySFVYPRFOKNGNPB-UHFFFAOYSA-N
MW1275.18 g/mol
LogP19.62
Rot. Bonds24

About 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

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 (PubChem CID 160823544) has the molecular formula C80H155N9O2 and a molecular weight of 1275.18 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-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
PubChem CID160823544
Molecular FormulaC80H155N9O2
Molecular Weight1275.18 g/mol
Exact Mass1274.23
IUPAC NameN-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
SMILESC=C(C(C)C)N(C)C.C=C(NC(C)(C)C)C(C)C.C=C(NC(C)C)C(C)C.C=C(NC)C(C)C.C=C(NC1CCCC1)C(C)C.C=C(NCC)C(C)C.C=C(NCC1CCCCC1)C(C)C.CC(C)C(=O)NC1CCCCC1.CC(C)C(=O)NCc1ccccc1
InChIInChI=1S/C12H23N.C11H15NO.C10H19NO.C10H19N.C9H19N.C8H17N.2C7H15N.C6H13N/c1-10(2)11(3)13-9-12-7-5-4-6-8-12;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;1-8(2)9(3)11-10-6-4-5-7-10;1-7(2)8(3)10-9(4,5)6;1-6(2)8(5)9-7(3)4;1-6(2)7(3)8(4)5;1-5-8-7(4)6(2)3;1-5(2)6(3)7-4/h10,12-13H,3-9H2,1-2H3;3-7,9H,8H2,1-2H3,(H,12,13);8-9H,3-7H2,1-2H3,(H,11,12);8,10-11H,3-7H2,1-2H3;7,10H,3H2,1-2,4-6H3;6-7,9H,5H2,1-4H3;6H,3H2,1-2,4-5H3;6,8H,4-5H2,1-3H3;5,7H,3H2,1-2,4H3
InChIKeySFVYPRFOKNGNPB-UHFFFAOYSA-N
XLogP19.62
TPSA133.62 Ų
H-Bond Donors8
H-Bond Acceptors9
Rotatable Bonds24
Heavy Atoms91
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001275.18
LogP ≤ 519.62
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 109

Analyze 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 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-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
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-(cyclohexylcarbamoylamino)propanamide
CID 60573206
N-benzyl-2-methylpropanamide;methane
CID 160760567
tert-butyl N-[1-[[2-(benzylamino)-2-oxo-1-phenylethyl]-cyclobutylamino]-1-oxopropan-2-yl]carbamate
CID 18011954
N-(cycloheptylmethyl)-2-phenylacetamide
CID 54313529
N-benzyl-N'-cyclohexylpropanediamide
CID 108942512
N-(cyclopentylmethyl)-2-methylpropanamide
CID 58333395
N-(cyclohexylmethyl)-2-[4-(2-methylpropanoylamino)piperidin-1-yl]benzamide
CID 42848215
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
benzyl N-[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]carbamate
CID 18108659

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=C(C(C)C)N(C)C.C=C(NC(C)(C)C)C(C)C.C=C(NC(C)C)C(C)C.C=C(NC)C(C)C.C=C(NC1CCCC1)C(C)C.C=C(NCC)C(C)C.C=C(NCC1CCCCC1)C(C)C.CC(C)C(=O)NC1CCCCC1.CC(C)C(=O)NCc1ccccc1.
What is the InChIKey of 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?
The InChIKey is SFVYPRFOKNGNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N.C11H15NO.C10H19NO.C10H19N.C9H19N.C8H17N.2C7H15N.C6H13N/c1-10(2)11(3)13-9-12-7-5-4-6-8-12;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;1-8(2)9(3)11-10-6-4-5-7-10;1-7(2)8(3)10-9(4,5)6;1-6(2)8(5)9-7(3)4;1-6(2)7(3)8(4)5;1-5-8-7(4)6(2)3;1-5(2)6(3)7-4/h10,12-13H,3-9H2,1-2H3;3-7,9H,8H2,1-2H3,(H,12,13);8-9H,3-7H2,1-2H3,(H,11,12);8,10-11H,3-7H2,1-2H3;7,10H,3H2,1-2,4-6H3;6-7,9H,5H2,1-4H3;6H,3H2,1-2,4-5H3;6,8H,4-5H2,1-3H3;5,7H,3H2,1-2,4H3.
What are the key properties of 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?
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 has a molecular weight of 1275.18 g/mol, XLogP of 19.62, 24 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-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 is sourced from PubChem (CID 160823544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).