1-amino-N-[(3-methylcyclohexyl)methyl]cyclopropane-1-carboxamide

C12H22N2O — CID 103809810

IUPAC1-amino-N-[(3-methylcyclohexyl)methyl]cyclopropane-1-carboxamide
SMILESCC1CCCC(CNC(=O)C2(N)CC2)C1
InChIInChI=1S/C12H22N2O/c1-9-3-2-4-10(7-9)8-14-11(15)12(13)5-6-12/h9-10H,2-8,13H2,1H3,(H,14,15)
InChIKeyWKWZYHMRBLOSJU-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.42
Rot. Bonds3

About 1-amino-N-[(3-methylcyclohexyl)methyl]cyclopropane-1-carboxamide

1-amino-N-[(3-methylcyclohexyl)methyl]cyclopropane-1-carboxamide (PubChem CID 103809810) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-amino-N-[(3-methylcyclohexyl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[(3-methylcyclohexyl)methyl]cyclopropane-1-carboxamide
PubChem CID103809810
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name1-amino-N-[(3-methylcyclohexyl)methyl]cyclopropane-1-carboxamide
SMILESCC1CCCC(CNC(=O)C2(N)CC2)C1
InChIInChI=1S/C12H22N2O/c1-9-3-2-4-10(7-9)8-14-11(15)12(13)5-6-12/h9-10H,2-8,13H2,1H3,(H,14,15)
InChIKeyWKWZYHMRBLOSJU-UHFFFAOYSA-N
XLogP1.42
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-[(3-methylcyclohexyl)methyl]cyclopentane-1-carboxamide
CID 103809820
1-amino-N-(cyclopentylmethyl)cyclopropane-1-carboxamide
CID 65463779
1-amino-N-(cyclobutylmethyl)-3-methylcyclohexane-1-carboxamide
CID 64550637
2-(1-aminocyclopentyl)-N-[(3-methylcyclohexyl)methyl]acetamide
CID 114130650
1-(aminomethyl)-N-[(3-methylcyclopentyl)methyl]cycloheptane-1-carboxamide
CID 107412357
2-amino-3-methyl-N-[(3-methylcyclohexyl)methyl]butanamide
CID 103795901
5-(aminomethyl)-N-[(3-methylcyclohexyl)methyl]furan-2-carboxamide
CID 103809834
3-methyl-N-[(3-methylcyclohexyl)methyl]but-2-enamide
CID 130157819
2-carbamothioyl-3-methyl-N-[(3-methylcyclohexyl)methyl]butanamide
CID 114130331
1-amino-N-[(4-ethylcyclohexyl)methyl]cyclopentane-1-carboxamide
CID 54880967
1-amino-N-[(1-methylpiperidin-4-yl)methyl]cyclopropane-1-carboxamide
CID 65465788
tert-butyl N-[[(1R,3S)-3-methylcyclohexyl]methyl]carbamate
CID 171338256

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[(3-methylcyclohexyl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-[(3-methylcyclohexyl)methyl]cyclopropane-1-carboxamide (CID 103809810) is 1-amino-N-[(3-methylcyclohexyl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[(3-methylcyclohexyl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-[(3-methylcyclohexyl)methyl]cyclopropane-1-carboxamide is CC1CCCC(CNC(=O)C2(N)CC2)C1.
What is the InChIKey of 1-amino-N-[(3-methylcyclohexyl)methyl]cyclopropane-1-carboxamide?
The InChIKey is WKWZYHMRBLOSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-9-3-2-4-10(7-9)8-14-11(15)12(13)5-6-12/h9-10H,2-8,13H2,1H3,(H,14,15).
What are the key properties of 1-amino-N-[(3-methylcyclohexyl)methyl]cyclopropane-1-carboxamide?
1-amino-N-[(3-methylcyclohexyl)methyl]cyclopropane-1-carboxamide has a molecular weight of 210.32 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[(3-methylcyclohexyl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 103809810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).