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

C15H28N2O — CID 103812995

IUPAC3-amino-N-[(1-methylcyclohexyl)methyl]cyclohexane-1-carboxamide
SMILESCC1(CNC(=O)C2CCCC(N)C2)CCCCC1
InChIInChI=1S/C15H28N2O/c1-15(8-3-2-4-9-15)11-17-14(18)12-6-5-7-13(16)10-12/h12-13H,2-11,16H2,1H3,(H,17,18)
InChIKeyFOYMTPBLBCVRDC-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.59
Rot. Bonds3

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

3-amino-N-[(1-methylcyclohexyl)methyl]cyclohexane-1-carboxamide (PubChem CID 103812995) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 3-amino-N-[(1-methylcyclohexyl)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(1-methylcyclohexyl)methyl]cyclohexane-1-carboxamide
PubChem CID103812995
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name3-amino-N-[(1-methylcyclohexyl)methyl]cyclohexane-1-carboxamide
SMILESCC1(CNC(=O)C2CCCC(N)C2)CCCCC1
InChIInChI=1S/C15H28N2O/c1-15(8-3-2-4-9-15)11-17-14(18)12-6-5-7-13(16)10-12/h12-13H,2-11,16H2,1H3,(H,17,18)
InChIKeyFOYMTPBLBCVRDC-UHFFFAOYSA-N
XLogP2.59
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;formaldehyde;N-[(1-methylcyclohexyl)methyl]cyclohexanecarboxamide
CID 90789963
N-[(1-methylcyclopropyl)methyl]cyclobutanecarboxamide
CID 127018359
cis-(1R,3S)-3-amino-N-[[1-(methoxymethyl)cyclopentyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 154909398
3-amino-N-[[1-(2-methylpropyl)cyclopentyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119812295
2-amino-N-[(1-methylcyclohexyl)methyl]cyclopentane-1-carboxamide
CID 103812983
N-(1-adamantylmethyl)-3-aminocyclohexane-1-carboxamide
CID 63047139
3-amino-N-[(1-ethylcyclobutyl)methyl]cyclopentane-1-carboxamide
CID 103810881
N-(3-acetamidopropyl)-3-aminocyclohexane-1-carboxamide
CID 119725928
3-amino-N-[(1-ethylcyclobutyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119782141
N-[(1-methylcyclopropyl)methyl]cyclopropanecarboxamide
CID 103722140
3-amino-N-[2-(cyclopropanecarbonylamino)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119687746
3-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]cyclohexane-1-carboxamide
CID 63045578

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(1-methylcyclohexyl)methyl]cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-[(1-methylcyclohexyl)methyl]cyclohexane-1-carboxamide (CID 103812995) is 3-amino-N-[(1-methylcyclohexyl)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[(1-methylcyclohexyl)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-[(1-methylcyclohexyl)methyl]cyclohexane-1-carboxamide is CC1(CNC(=O)C2CCCC(N)C2)CCCCC1.
What is the InChIKey of 3-amino-N-[(1-methylcyclohexyl)methyl]cyclohexane-1-carboxamide?
The InChIKey is FOYMTPBLBCVRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-15(8-3-2-4-9-15)11-17-14(18)12-6-5-7-13(16)10-12/h12-13H,2-11,16H2,1H3,(H,17,18).
What are the key properties of 3-amino-N-[(1-methylcyclohexyl)methyl]cyclohexane-1-carboxamide?
3-amino-N-[(1-methylcyclohexyl)methyl]cyclohexane-1-carboxamide has a molecular weight of 252.40 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(1-methylcyclohexyl)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 103812995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).