3-amino-N-(2-hydroxycyclohexyl)cyclopentane-1-carboxamide

C12H22N2O2 — CID 66007557

IUPAC3-amino-N-(2-hydroxycyclohexyl)cyclopentane-1-carboxamide
SMILESNC1CCC(C(=O)NC2CCCCC2O)C1
InChIInChI=1S/C12H22N2O2/c13-9-6-5-8(7-9)12(16)14-10-3-1-2-4-11(10)15/h8-11,15H,1-7,13H2,(H,14,16)
InChIKeySPPIMLKNKHGWLF-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.53
Rot. Bonds2

About 3-amino-N-(2-hydroxycyclohexyl)cyclopentane-1-carboxamide

3-amino-N-(2-hydroxycyclohexyl)cyclopentane-1-carboxamide (PubChem CID 66007557) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 3-amino-N-(2-hydroxycyclohexyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-hydroxycyclohexyl)cyclopentane-1-carboxamide
PubChem CID66007557
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name3-amino-N-(2-hydroxycyclohexyl)cyclopentane-1-carboxamide
SMILESNC1CCC(C(=O)NC2CCCCC2O)C1
InChIInChI=1S/C12H22N2O2/c13-9-6-5-8(7-9)12(16)14-10-3-1-2-4-11(10)15/h8-11,15H,1-7,13H2,(H,14,16)
InChIKeySPPIMLKNKHGWLF-UHFFFAOYSA-N
XLogP0.53
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S,2S)-2-hydroxycyclooctyl]cyclopropanecarboxamide
CID 146041512
N-[(1R,2R)-2-hydroxycyclohexyl]cyclopent-3-ene-1-carboxamide
CID 104927999
3-amino-N-(2,3-dimethylcyclohexyl)cyclopentane-1-carboxamide;hydrochloride
CID 119676180
3-amino-N-(2-tert-butylcyclohexyl)cyclohexane-1-carboxamide;hydrochloride
CID 119716258
4-amino-N-(2-hydroxycyclohexyl)cyclopent-2-ene-1-carboxamide
CID 79207326
2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]cycloheptane-1-carboxamide
CID 107221615
3-aminocyclopentane-1-carbohydrazide
CID 66010273
N-[(1R,2R)-2-hydroxycyclohexyl]-5-methyloxolane-3-carboxamide
CID 102677288
3-amino-N-(2-cyclohexylcyclopropyl)cyclohexane-1-carboxamide
CID 119803900
4-[(3-aminocyclopentanecarbonyl)amino]cyclohexane-1-carboxamide
CID 66032881
N-[(1R,2R)-2-hydroxycyclohexyl]piperidine-3-carboxamide
CID 107222065
3-amino-N-[2-(4-methylphenyl)oxan-3-yl]cyclopentane-1-carboxamide;hydrochloride
CID 119818112

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-hydroxycyclohexyl)cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-(2-hydroxycyclohexyl)cyclopentane-1-carboxamide (CID 66007557) is 3-amino-N-(2-hydroxycyclohexyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-(2-hydroxycyclohexyl)cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-(2-hydroxycyclohexyl)cyclopentane-1-carboxamide is NC1CCC(C(=O)NC2CCCCC2O)C1.
What is the InChIKey of 3-amino-N-(2-hydroxycyclohexyl)cyclopentane-1-carboxamide?
The InChIKey is SPPIMLKNKHGWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c13-9-6-5-8(7-9)12(16)14-10-3-1-2-4-11(10)15/h8-11,15H,1-7,13H2,(H,14,16).
What are the key properties of 3-amino-N-(2-hydroxycyclohexyl)cyclopentane-1-carboxamide?
3-amino-N-(2-hydroxycyclohexyl)cyclopentane-1-carboxamide has a molecular weight of 226.32 g/mol, XLogP of 0.53, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-hydroxycyclohexyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 66007557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).