N-(4-aminocyclohexyl)-2-cyclohexylcyclopropane-1-carboxamide

C16H28N2O — CID 119474847

IUPACN-(4-aminocyclohexyl)-2-cyclohexylcyclopropane-1-carboxamide
SMILESNC1CCC(NC(=O)C2CC2C2CCCCC2)CC1
InChIInChI=1S/C16H28N2O/c17-12-6-8-13(9-7-12)18-16(19)15-10-14(15)11-4-2-1-3-5-11/h11-15H,1-10,17H2,(H,18,19)
InChIKeyPLFNNYOQGRZQGC-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.59
Rot. Bonds3

About N-(4-aminocyclohexyl)-2-cyclohexylcyclopropane-1-carboxamide

N-(4-aminocyclohexyl)-2-cyclohexylcyclopropane-1-carboxamide (PubChem CID 119474847) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-2-cyclohexylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-2-cyclohexylcyclopropane-1-carboxamide
PubChem CID119474847
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN-(4-aminocyclohexyl)-2-cyclohexylcyclopropane-1-carboxamide
SMILESNC1CCC(NC(=O)C2CC2C2CCCCC2)CC1
InChIInChI=1S/C16H28N2O/c17-12-6-8-13(9-7-12)18-16(19)15-10-14(15)11-4-2-1-3-5-11/h11-15H,1-10,17H2,(H,18,19)
InChIKeyPLFNNYOQGRZQGC-UHFFFAOYSA-N
XLogP2.59
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-aminocyclohexyl)cycloheptanecarboxamide;hydrochloride
CID 119478130
5-amino-N-cycloheptyl-2-methylcyclohexane-1-carboxamide
CID 62783163
1-N,2-N-dicyclohexylcyclopropane-1,2-dicarboxamide
CID 109132364
2-N-cycloheptyl-1-N-cyclopentylcyclopropane-1,2-dicarboxamide
CID 109132055
N-(4-aminocyclohexyl)bicyclo[3.1.0]hexane-6-carboxamide
CID 81478190
2-[[3-[[(1R,2S)-2-cyclohexylcyclopropanecarbonyl]amino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid
CID 129343798
2-amino-N-cyclooctylcyclohexane-1-carboxamide
CID 62775417
cis-(1R,2R)-N-(4-aminocyclohexyl)-2-butylcyclopropane-1-carboxamide
CID 153443780
N-(4-aminocyclohexyl)azepane-2-carboxamide
CID 64569941
4-amino-N-cyclopropylcyclohexane-1-carboxamide;hydrochloride
CID 66868284
2-amino-N-cyclohexylcyclopentane-1-carboxamide
CID 64817156
N-(4-aminocyclohexyl)adamantane-2-carboxamide;hydrochloride
CID 119477426

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-2-cyclohexylcyclopropane-1-carboxamide?
The IUPAC name of N-(4-aminocyclohexyl)-2-cyclohexylcyclopropane-1-carboxamide (CID 119474847) is N-(4-aminocyclohexyl)-2-cyclohexylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-2-cyclohexylcyclopropane-1-carboxamide?
The canonical SMILES for N-(4-aminocyclohexyl)-2-cyclohexylcyclopropane-1-carboxamide is NC1CCC(NC(=O)C2CC2C2CCCCC2)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-2-cyclohexylcyclopropane-1-carboxamide?
The InChIKey is PLFNNYOQGRZQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c17-12-6-8-13(9-7-12)18-16(19)15-10-14(15)11-4-2-1-3-5-11/h11-15H,1-10,17H2,(H,18,19).
What are the key properties of N-(4-aminocyclohexyl)-2-cyclohexylcyclopropane-1-carboxamide?
N-(4-aminocyclohexyl)-2-cyclohexylcyclopropane-1-carboxamide has a molecular weight of 264.41 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 N-(4-aminocyclohexyl)-2-cyclohexylcyclopropane-1-carboxamide is sourced from PubChem (CID 119474847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).