3-amino-N-cyclopentyl-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide

C17H30N2O2 — CID 119805598

IUPAC3-amino-N-cyclopentyl-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide
SMILESNC1CCCC(C(=O)N(CC2CCCO2)C2CCCC2)C1
InChIInChI=1S/C17H30N2O2/c18-14-6-3-5-13(11-14)17(20)19(15-7-1-2-8-15)12-16-9-4-10-21-16/h13-16H,1-12,18H2
InChIKeyAUEYFYMBLHFVKF-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.45
Rot. Bonds4

About 3-amino-N-cyclopentyl-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide

3-amino-N-cyclopentyl-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide (PubChem CID 119805598) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 3-amino-N-cyclopentyl-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-cyclopentyl-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide
PubChem CID119805598
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name3-amino-N-cyclopentyl-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide
SMILESNC1CCCC(C(=O)N(CC2CCCO2)C2CCCC2)C1
InChIInChI=1S/C17H30N2O2/c18-14-6-3-5-13(11-14)17(20)19(15-7-1-2-8-15)12-16-9-4-10-21-16/h13-16H,1-12,18H2
InChIKeyAUEYFYMBLHFVKF-UHFFFAOYSA-N
XLogP2.45
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-ethyl-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide
CID 62776848
N-cyclopentyl-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide
CID 119336156
3-amino-N-cyclopropyl-N-(oxolan-3-ylmethyl)cyclohexane-1-carboxamide;hydrochloride
CID 119715175
3-amino-N-cyclohexyl-N-ethylcyclohexane-1-carboxamide;hydrochloride
CID 119674160
oxan-2-ylmethyl 3-aminocyclohexane-1-carboxylate
CID 55148465
3-amino-N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide
CID 119759146
3-amino-N-cyclopentyl-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119696948
3-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide
CID 62808740
3-[methyl(oxolan-2-ylmethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 55236563
N-(4-methylcyclohexyl)-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide;hydrochloride
CID 119336171
3-amino-N,4-dimethyl-N-(oxan-2-ylmethyl)cyclohexane-1-carboxamide
CID 62781110
3-[[methyl(oxolan-2-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 63044910

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopentyl-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-cyclopentyl-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide (CID 119805598) is 3-amino-N-cyclopentyl-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-cyclopentyl-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-cyclopentyl-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide is NC1CCCC(C(=O)N(CC2CCCO2)C2CCCC2)C1.
What is the InChIKey of 3-amino-N-cyclopentyl-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide?
The InChIKey is AUEYFYMBLHFVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c18-14-6-3-5-13(11-14)17(20)19(15-7-1-2-8-15)12-16-9-4-10-21-16/h13-16H,1-12,18H2.
What are the key properties of 3-amino-N-cyclopentyl-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide?
3-amino-N-cyclopentyl-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide has a molecular weight of 294.44 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopentyl-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 119805598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).