N-(3-amino-4-methylpentyl)-N-methyl-1-thiophen-2-ylcyclohexane-1-carboxamide

C18H30N2OS — CID 119659795

IUPACN-(3-amino-4-methylpentyl)-N-methyl-1-thiophen-2-ylcyclohexane-1-carboxamide
SMILESCC(C)C(N)CCN(C)C(=O)C1(c2cccs2)CCCCC1
InChIInChI=1S/C18H30N2OS/c1-14(2)15(19)9-12-20(3)17(21)18(10-5-4-6-11-18)16-8-7-13-22-16/h7-8,13-15H,4-6,9-12,19H2,1-3H3
InChIKeyIEBKYIXVTYHCDD-UHFFFAOYSA-N
MW322.52 g/mol
LogP3.78
Rot. Bonds6

About N-(3-amino-4-methylpentyl)-N-methyl-1-thiophen-2-ylcyclohexane-1-carboxamide

N-(3-amino-4-methylpentyl)-N-methyl-1-thiophen-2-ylcyclohexane-1-carboxamide (PubChem CID 119659795) has the molecular formula C18H30N2OS and a molecular weight of 322.52 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-N-methyl-1-thiophen-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-N-methyl-1-thiophen-2-ylcyclohexane-1-carboxamide
PubChem CID119659795
Molecular FormulaC18H30N2OS
Molecular Weight322.52 g/mol
Exact Mass322.21
IUPAC NameN-(3-amino-4-methylpentyl)-N-methyl-1-thiophen-2-ylcyclohexane-1-carboxamide
SMILESCC(C)C(N)CCN(C)C(=O)C1(c2cccs2)CCCCC1
InChIInChI=1S/C18H30N2OS/c1-14(2)15(19)9-12-20(3)17(21)18(10-5-4-6-11-18)16-8-7-13-22-16/h7-8,13-15H,4-6,9-12,19H2,1-3H3
InChIKeyIEBKYIXVTYHCDD-UHFFFAOYSA-N
XLogP3.78
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.52
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-(1-thiophen-2-ylcyclohexanecarbonyl)amino]acetic acid
CID 119172241
N-butyl-N-methyl-1-thiophen-2-ylcyclopropane-1-carboxamide
CID 110698469
N-(3-amino-4-methylpentyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 119661315
[3-(1-aminoethyl)piperidin-1-yl]-(1-thiophen-2-ylcyclohexyl)methanone;hydrochloride
CID 119595244
N-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide;hydrochloride
CID 119659146
N-(3-amino-4-methylpentyl)-N-methyl-4-oxo-4-thiophen-2-ylbutanamide;hydrochloride
CID 119657257
N,N-diphenyl-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 42435357
N-(3-hydroxybutyl)-N-methyl-1-phenylcyclobutane-1-carboxamide
CID 115673284
N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N-methyl-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 90635759
(2R)-2-amino-N-[(1-thiophen-2-ylcyclohexyl)methyl]propanamide
CID 119332541
N,N-diethyl-1-thiophen-2-ylcyclopropane-1-carboxamide
CID 110698462
N-(3-amino-4-methylpentyl)-N-methyl-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 119659075

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-N-methyl-1-thiophen-2-ylcyclohexane-1-carboxamide?
The IUPAC name of N-(3-amino-4-methylpentyl)-N-methyl-1-thiophen-2-ylcyclohexane-1-carboxamide (CID 119659795) is N-(3-amino-4-methylpentyl)-N-methyl-1-thiophen-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-N-methyl-1-thiophen-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for N-(3-amino-4-methylpentyl)-N-methyl-1-thiophen-2-ylcyclohexane-1-carboxamide is CC(C)C(N)CCN(C)C(=O)C1(c2cccs2)CCCCC1.
What is the InChIKey of N-(3-amino-4-methylpentyl)-N-methyl-1-thiophen-2-ylcyclohexane-1-carboxamide?
The InChIKey is IEBKYIXVTYHCDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2OS/c1-14(2)15(19)9-12-20(3)17(21)18(10-5-4-6-11-18)16-8-7-13-22-16/h7-8,13-15H,4-6,9-12,19H2,1-3H3.
What are the key properties of N-(3-amino-4-methylpentyl)-N-methyl-1-thiophen-2-ylcyclohexane-1-carboxamide?
N-(3-amino-4-methylpentyl)-N-methyl-1-thiophen-2-ylcyclohexane-1-carboxamide has a molecular weight of 322.52 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-N-methyl-1-thiophen-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 119659795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).