1-amino-N-[(1-hydroxycyclopentyl)methyl]-N,3-dimethylcyclohexane-1-carboxamide

C15H28N2O2 — CID 114948978

IUPAC1-amino-N-[(1-hydroxycyclopentyl)methyl]-N,3-dimethylcyclohexane-1-carboxamide
SMILESCC1CCCC(N)(C(=O)N(C)CC2(O)CCCC2)C1
InChIInChI=1S/C15H28N2O2/c1-12-6-5-9-15(16,10-12)13(18)17(2)11-14(19)7-3-4-8-14/h12,19H,3-11,16H2,1-2H3
InChIKeySUMCKFIJEYAZGQ-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.66
Rot. Bonds3

About 1-amino-N-[(1-hydroxycyclopentyl)methyl]-N,3-dimethylcyclohexane-1-carboxamide

1-amino-N-[(1-hydroxycyclopentyl)methyl]-N,3-dimethylcyclohexane-1-carboxamide (PubChem CID 114948978) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-amino-N-[(1-hydroxycyclopentyl)methyl]-N,3-dimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[(1-hydroxycyclopentyl)methyl]-N,3-dimethylcyclohexane-1-carboxamide
PubChem CID114948978
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name1-amino-N-[(1-hydroxycyclopentyl)methyl]-N,3-dimethylcyclohexane-1-carboxamide
SMILESCC1CCCC(N)(C(=O)N(C)CC2(O)CCCC2)C1
InChIInChI=1S/C15H28N2O2/c1-12-6-5-9-15(16,10-12)13(18)17(2)11-14(19)7-3-4-8-14/h12,19H,3-11,16H2,1-2H3
InChIKeySUMCKFIJEYAZGQ-UHFFFAOYSA-N
XLogP1.66
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-amino-3-methylcyclohexanecarbonyl)-methylamino]acetic acid
CID 64555060
1-amino-N,3-dimethyl-N-(4-methylcyclohexyl)cyclohexane-1-carboxamide
CID 64549415
1-amino-N,3-dimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide
CID 64553576
1-amino-N-cyclopropyl-3-methyl-N-propylcyclohexane-1-carboxamide
CID 64550261
2-[(1-amino-3-methylcyclohexanecarbonyl)-cyclopropylamino]acetic acid
CID 64552528
1-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-N,3-dimethylcyclohexane-1-carboxamide
CID 64551042
1-(aminomethyl)-N-[(1-hydroxycyclopentyl)methyl]-N,3-dimethylcyclobutane-1-carboxamide
CID 114948730
2-[(1-amino-3-methylcyclohexanecarbonyl)-methylamino]butanoic acid
CID 64554226
cis-(1S,3S)-1-amino-3-methylcyclohexane-1-carboxamide
CID 93311266
2-[(1-amino-3-methylcyclohexanecarbonyl)-tert-butylamino]acetic acid
CID 79268686
1-amino-3-methyl-N,N-dipentylcyclohexane-1-carboxamide
CID 64549829
1-amino-N-(1-ethylpiperidin-4-yl)-N,3-dimethylcyclohexane-1-carboxamide
CID 64551045

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[(1-hydroxycyclopentyl)methyl]-N,3-dimethylcyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-[(1-hydroxycyclopentyl)methyl]-N,3-dimethylcyclohexane-1-carboxamide (CID 114948978) is 1-amino-N-[(1-hydroxycyclopentyl)methyl]-N,3-dimethylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[(1-hydroxycyclopentyl)methyl]-N,3-dimethylcyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-[(1-hydroxycyclopentyl)methyl]-N,3-dimethylcyclohexane-1-carboxamide is CC1CCCC(N)(C(=O)N(C)CC2(O)CCCC2)C1.
What is the InChIKey of 1-amino-N-[(1-hydroxycyclopentyl)methyl]-N,3-dimethylcyclohexane-1-carboxamide?
The InChIKey is SUMCKFIJEYAZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-12-6-5-9-15(16,10-12)13(18)17(2)11-14(19)7-3-4-8-14/h12,19H,3-11,16H2,1-2H3.
What are the key properties of 1-amino-N-[(1-hydroxycyclopentyl)methyl]-N,3-dimethylcyclohexane-1-carboxamide?
1-amino-N-[(1-hydroxycyclopentyl)methyl]-N,3-dimethylcyclohexane-1-carboxamide has a molecular weight of 268.40 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[(1-hydroxycyclopentyl)methyl]-N,3-dimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 114948978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).