N-[(4-aminocyclohexyl)methyl]-3-cyclohexylpropanamide

C16H30N2O — CID 106124035

IUPACN-[(4-aminocyclohexyl)methyl]-3-cyclohexylpropanamide
SMILESNC1CCC(CNC(=O)CCC2CCCCC2)CC1
InChIInChI=1S/C16H30N2O/c17-15-9-6-14(7-10-15)12-18-16(19)11-8-13-4-2-1-3-5-13/h13-15H,1-12,17H2,(H,18,19)
InChIKeyKELSNLJCRPKBKE-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.98
Rot. Bonds5

About N-[(4-aminocyclohexyl)methyl]-3-cyclohexylpropanamide

N-[(4-aminocyclohexyl)methyl]-3-cyclohexylpropanamide (PubChem CID 106124035) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is N-[(4-aminocyclohexyl)methyl]-3-cyclohexylpropanamide.

Molecular Properties

Compound NameN-[(4-aminocyclohexyl)methyl]-3-cyclohexylpropanamide
PubChem CID106124035
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC NameN-[(4-aminocyclohexyl)methyl]-3-cyclohexylpropanamide
SMILESNC1CCC(CNC(=O)CCC2CCCCC2)CC1
InChIInChI=1S/C16H30N2O/c17-15-9-6-14(7-10-15)12-18-16(19)11-8-13-4-2-1-3-5-13/h13-15H,1-12,17H2,(H,18,19)
InChIKeyKELSNLJCRPKBKE-UHFFFAOYSA-N
XLogP2.98
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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

2-(4-aminocyclohexyl)-N-(cyclopentylmethyl)acetamide
CID 62782345
N-[(3-chlorocyclopentyl)methyl]-3-cyclopentylpropanamide
CID 106126792
N-[(4-aminocyclohexyl)methyl]pentanamide
CID 106124302
N-(4-aminocyclohexyl)-3-cyclopentylpropanamide;hydrochloride
CID 119260252
CID 43558685
CID 43558685
4-amino-N-(cyclopentylmethyl)butanamide
CID 43371168
N-(cyclohexylmethyl)-4-oxopentanamide
CID 60637241
N-(2-amino-2-oxoethyl)-3-cyclopentylpropanamide
CID 60668206
6-amino-N-(cyclohexylmethyl)hexanamide
CID 43371592
N-(2-amino-2-methylpropyl)-3-cyclopentylpropanamide
CID 81425234
N-(2-chloroethyl)-3-cyclohexylpropanamide
CID 61288292
3-(4-aminocyclohexyl)-N-(2-ethoxyethyl)propanamide
CID 62777706

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminocyclohexyl)methyl]-3-cyclohexylpropanamide?
The IUPAC name of N-[(4-aminocyclohexyl)methyl]-3-cyclohexylpropanamide (CID 106124035) is N-[(4-aminocyclohexyl)methyl]-3-cyclohexylpropanamide.
What is the SMILES notation for N-[(4-aminocyclohexyl)methyl]-3-cyclohexylpropanamide?
The canonical SMILES for N-[(4-aminocyclohexyl)methyl]-3-cyclohexylpropanamide is NC1CCC(CNC(=O)CCC2CCCCC2)CC1.
What is the InChIKey of N-[(4-aminocyclohexyl)methyl]-3-cyclohexylpropanamide?
The InChIKey is KELSNLJCRPKBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c17-15-9-6-14(7-10-15)12-18-16(19)11-8-13-4-2-1-3-5-13/h13-15H,1-12,17H2,(H,18,19).
What are the key properties of N-[(4-aminocyclohexyl)methyl]-3-cyclohexylpropanamide?
N-[(4-aminocyclohexyl)methyl]-3-cyclohexylpropanamide has a molecular weight of 266.43 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminocyclohexyl)methyl]-3-cyclohexylpropanamide is sourced from PubChem (CID 106124035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).