2-[4-(1-aminoethyl)cyclohexyl]-N-cyclohexylacetamide

C16H30N2O — CID 163685582

IUPAC2-[4-(1-aminoethyl)cyclohexyl]-N-cyclohexylacetamide
SMILESCC(N)C1CCC(CC(=O)NC2CCCCC2)CC1
InChIInChI=1S/C16H30N2O/c1-12(17)14-9-7-13(8-10-14)11-16(19)18-15-5-3-2-4-6-15/h12-15H,2-11,17H2,1H3,(H,18,19)
InChIKeyJOOSQEKHESFBOF-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.98
Rot. Bonds4

About 2-[4-(1-aminoethyl)cyclohexyl]-N-cyclohexylacetamide

2-[4-(1-aminoethyl)cyclohexyl]-N-cyclohexylacetamide (PubChem CID 163685582) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 2-[4-(1-aminoethyl)cyclohexyl]-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[4-(1-aminoethyl)cyclohexyl]-N-cyclohexylacetamide
PubChem CID163685582
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name2-[4-(1-aminoethyl)cyclohexyl]-N-cyclohexylacetamide
SMILESCC(N)C1CCC(CC(=O)NC2CCCCC2)CC1
InChIInChI=1S/C16H30N2O/c1-12(17)14-9-7-13(8-10-14)11-16(19)18-15-5-3-2-4-6-15/h12-15H,2-11,17H2,1H3,(H,18,19)
InChIKeyJOOSQEKHESFBOF-UHFFFAOYSA-N
XLogP2.98
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopentyl-2-cyclopropylacetamide
CID 60753480
3-[4-(1-aminoethyl)piperidin-1-yl]-N-cyclohexylpropanamide
CID 63596230
5-[(1R)-1-aminoethyl]-N-cyclodecylcyclooctane-1-carboxamide
CID 126513454
5-(1-aminoethyl)-N-cyclooctylcyclodecane-1-carboxamide
CID 129211806
2-[3-(1-aminoethyl)piperidin-1-yl]-N-cycloheptylacetamide;hydrochloride
CID 119925682
5-[[2-[5-[(2-cycloheptylacetyl)amino]cyclooctyl]acetyl]amino]cyclooctane-1-carboxylic acid
CID 163822868
2-(3-aminocyclohexyl)-N-cyclooctylacetamide
CID 55116896
N-(3-aminocyclohexyl)-2-cyclopropylacetamide
CID 83619282
N-[4-[2-(1-aminoethyl)piperidine-1-carbonyl]cyclohexyl]-2-cyclopentylacetamide;hydrochloride
CID 119436827
(3S)-3-amino-N-cyclobutylbutanamide
CID 94423965
2-cyclobutyl-N-[4-(methylamino)cyclohexyl]acetamide
CID 103162228
N-cyclohexyl-3-methylbutanamide;methane
CID 161464891

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-aminoethyl)cyclohexyl]-N-cyclohexylacetamide?
The IUPAC name of 2-[4-(1-aminoethyl)cyclohexyl]-N-cyclohexylacetamide (CID 163685582) is 2-[4-(1-aminoethyl)cyclohexyl]-N-cyclohexylacetamide.
What is the SMILES notation for 2-[4-(1-aminoethyl)cyclohexyl]-N-cyclohexylacetamide?
The canonical SMILES for 2-[4-(1-aminoethyl)cyclohexyl]-N-cyclohexylacetamide is CC(N)C1CCC(CC(=O)NC2CCCCC2)CC1.
What is the InChIKey of 2-[4-(1-aminoethyl)cyclohexyl]-N-cyclohexylacetamide?
The InChIKey is JOOSQEKHESFBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-12(17)14-9-7-13(8-10-14)11-16(19)18-15-5-3-2-4-6-15/h12-15H,2-11,17H2,1H3,(H,18,19).
What are the key properties of 2-[4-(1-aminoethyl)cyclohexyl]-N-cyclohexylacetamide?
2-[4-(1-aminoethyl)cyclohexyl]-N-cyclohexylacetamide has a molecular weight of 266.43 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-aminoethyl)cyclohexyl]-N-cyclohexylacetamide is sourced from PubChem (CID 163685582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).