2-[1-(aminomethyl)cyclohexyl]-N-cyclohexylacetamide

C15H28N2O — CID 104677352

IUPAC2-[1-(aminomethyl)cyclohexyl]-N-cyclohexylacetamide
SMILESNCC1(CC(=O)NC2CCCCC2)CCCCC1
InChIInChI=1S/C15H28N2O/c16-12-15(9-5-2-6-10-15)11-14(18)17-13-7-3-1-4-8-13/h13H,1-12,16H2,(H,17,18)
InChIKeyJXHNCISSKCXWLW-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.73
Rot. Bonds4

About 2-[1-(aminomethyl)cyclohexyl]-N-cyclohexylacetamide

2-[1-(aminomethyl)cyclohexyl]-N-cyclohexylacetamide (PubChem CID 104677352) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclohexyl]-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclohexyl]-N-cyclohexylacetamide
PubChem CID104677352
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name2-[1-(aminomethyl)cyclohexyl]-N-cyclohexylacetamide
SMILESNCC1(CC(=O)NC2CCCCC2)CCCCC1
InChIInChI=1S/C15H28N2O/c16-12-15(9-5-2-6-10-15)11-14(18)17-13-7-3-1-4-8-13/h13H,1-12,16H2,(H,17,18)
InChIKeyJXHNCISSKCXWLW-UHFFFAOYSA-N
XLogP2.73
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-aminocyclohexyl)-2-[1-(aminomethyl)cyclohexyl]acetamide
CID 104678121
2-[1-(aminomethyl)cyclohexyl]-N-(1-cyclopropylpiperidin-4-yl)acetamide
CID 104677721
2-[1-(aminomethyl)cyclohexyl]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 104677414
2-[1-(aminomethyl)cyclobutyl]-N-(1,1-dioxothian-3-yl)acetamide
CID 81168499
2-[1-(aminomethyl)cyclohexyl]-N-(1-ethylpiperidin-3-yl)acetamide
CID 104677930
2-[1-(aminomethyl)cyclohexyl]-N-(1-cyclopropylpyrrolidin-3-yl)acetamide
CID 104678068
2-[1-(aminomethyl)cyclobutyl]-N-(4-methylsulfanylcyclohexyl)acetamide
CID 114123049
2-(1-aminocyclopropyl)-N-cyclopentylacetamide
CID 115016249
2-[1-(aminomethyl)cyclohexyl]-N-methylacetamide
CID 59780086
2-[1-(aminomethyl)cyclobutyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 81172967
2-[1-(aminomethyl)cyclopentyl]oxy-N-cycloheptylacetamide
CID 65050926
2-[1-(aminomethyl)cyclobutyl]-N-(3-ethylsulfanylcyclopentyl)acetamide
CID 114123170

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-cyclohexylacetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-cyclohexylacetamide (CID 104677352) is 2-[1-(aminomethyl)cyclohexyl]-N-cyclohexylacetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclohexyl]-N-cyclohexylacetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclohexyl]-N-cyclohexylacetamide is NCC1(CC(=O)NC2CCCCC2)CCCCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclohexyl]-N-cyclohexylacetamide?
The InChIKey is JXHNCISSKCXWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c16-12-15(9-5-2-6-10-15)11-14(18)17-13-7-3-1-4-8-13/h13H,1-12,16H2,(H,17,18).
What are the key properties of 2-[1-(aminomethyl)cyclohexyl]-N-cyclohexylacetamide?
2-[1-(aminomethyl)cyclohexyl]-N-cyclohexylacetamide has a molecular weight of 252.40 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclohexyl]-N-cyclohexylacetamide is sourced from PubChem (CID 104677352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).