N-[(3-aminocyclohexyl)methyl]-2-cyclohexylacetamide

C15H28N2O — CID 106123088

IUPACN-[(3-aminocyclohexyl)methyl]-2-cyclohexylacetamide
SMILESNC1CCCC(CNC(=O)CC2CCCCC2)C1
InChIInChI=1S/C15H28N2O/c16-14-8-4-7-13(9-14)11-17-15(18)10-12-5-2-1-3-6-12/h12-14H,1-11,16H2,(H,17,18)
InChIKeyPSKMFQUVPGGYOG-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.59
Rot. Bonds4

About N-[(3-aminocyclohexyl)methyl]-2-cyclohexylacetamide

N-[(3-aminocyclohexyl)methyl]-2-cyclohexylacetamide (PubChem CID 106123088) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is N-[(3-aminocyclohexyl)methyl]-2-cyclohexylacetamide.

Molecular Properties

Compound NameN-[(3-aminocyclohexyl)methyl]-2-cyclohexylacetamide
PubChem CID106123088
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC NameN-[(3-aminocyclohexyl)methyl]-2-cyclohexylacetamide
SMILESNC1CCCC(CNC(=O)CC2CCCCC2)C1
InChIInChI=1S/C15H28N2O/c16-14-8-4-7-13(9-14)11-17-15(18)10-12-5-2-1-3-6-12/h12-14H,1-11,16H2,(H,17,18)
InChIKeyPSKMFQUVPGGYOG-UHFFFAOYSA-N
XLogP2.59
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 ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 83619287
2-(4-aminocyclohexyl)-N-(cyclopentylmethyl)acetamide
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2-(3-aminocyclohexyl)-N-(oxolan-3-ylmethyl)acetamide
CID 62825268
2-(3-aminocyclohexyl)-N-(oxan-2-ylmethyl)acetamide
CID 55116671
N-[(2-aminocyclohexyl)methyl]-2-cyclobutylacetamide
CID 103166988
N-[(3-bromocyclopentyl)methyl]-2-cyclopentylacetamide
CID 106128972
2-(3-aminocyclohexyl)-N-cyclooctylacetamide
CID 55116896
2-[4-(aminomethyl)cyclohexyl]-N-(cyclopentylmethyl)acetamide
CID 63613215
2-cycloheptyl-N-(piperidin-4-ylmethyl)acetamide
CID 115736681
N-[(3-aminocyclohexyl)methyl]azepane-1-carboxamide
CID 106125214
2-(3-aminocyclohexyl)-N-[2-(methylamino)-2-oxoethyl]acetamide
CID 62783174
2-(3-aminocyclohexyl)-N-(2,2-dimethylpropyl)acetamide
CID 62782744

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminocyclohexyl)methyl]-2-cyclohexylacetamide?
The IUPAC name of N-[(3-aminocyclohexyl)methyl]-2-cyclohexylacetamide (CID 106123088) is N-[(3-aminocyclohexyl)methyl]-2-cyclohexylacetamide.
What is the SMILES notation for N-[(3-aminocyclohexyl)methyl]-2-cyclohexylacetamide?
The canonical SMILES for N-[(3-aminocyclohexyl)methyl]-2-cyclohexylacetamide is NC1CCCC(CNC(=O)CC2CCCCC2)C1.
What is the InChIKey of N-[(3-aminocyclohexyl)methyl]-2-cyclohexylacetamide?
The InChIKey is PSKMFQUVPGGYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c16-14-8-4-7-13(9-14)11-17-15(18)10-12-5-2-1-3-6-12/h12-14H,1-11,16H2,(H,17,18).
What are the key properties of N-[(3-aminocyclohexyl)methyl]-2-cyclohexylacetamide?
N-[(3-aminocyclohexyl)methyl]-2-cyclohexylacetamide has a molecular weight of 252.40 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminocyclohexyl)methyl]-2-cyclohexylacetamide is sourced from PubChem (CID 106123088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).