N-pentyl-4-[(4-propylcyclohexyl)methoxy]cyclohexan-1-amine

C21H41NO — CID 20516751

IUPACN-pentyl-4-[(4-propylcyclohexyl)methoxy]cyclohexan-1-amine
SMILESCCCCCNC1CCC(OCC2CCC(CCC)CC2)CC1
InChIInChI=1S/C21H41NO/c1-3-5-6-16-22-20-12-14-21(15-13-20)23-17-19-10-8-18(7-4-2)9-11-19/h18-22H,3-17H2,1-2H3
InChIKeyLJRWCGNVDSCAGJ-UHFFFAOYSA-N
MW323.57 g/mol
LogP5.70
Rot. Bonds10

About N-pentyl-4-[(4-propylcyclohexyl)methoxy]cyclohexan-1-amine

N-pentyl-4-[(4-propylcyclohexyl)methoxy]cyclohexan-1-amine (PubChem CID 20516751) has the molecular formula C21H41NO and a molecular weight of 323.57 g/mol. Its IUPAC name is N-pentyl-4-[(4-propylcyclohexyl)methoxy]cyclohexan-1-amine.

Molecular Properties

Compound NameN-pentyl-4-[(4-propylcyclohexyl)methoxy]cyclohexan-1-amine
PubChem CID20516751
Molecular FormulaC21H41NO
Molecular Weight323.57 g/mol
Exact Mass323.32
IUPAC NameN-pentyl-4-[(4-propylcyclohexyl)methoxy]cyclohexan-1-amine
SMILESCCCCCNC1CCC(OCC2CCC(CCC)CC2)CC1
InChIInChI=1S/C21H41NO/c1-3-5-6-16-22-20-12-14-21(15-13-20)23-17-19-10-8-18(7-4-2)9-11-19/h18-22H,3-17H2,1-2H3
InChIKeyLJRWCGNVDSCAGJ-UHFFFAOYSA-N
XLogP5.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.57
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-pentyl-4-[(4-propylcyclohexyl)methoxy]cyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-pentyl-4-[(4-propylcyclohexyl)methoxy]cyclohexan-1-amine?
The IUPAC name of N-pentyl-4-[(4-propylcyclohexyl)methoxy]cyclohexan-1-amine (CID 20516751) is N-pentyl-4-[(4-propylcyclohexyl)methoxy]cyclohexan-1-amine.
What is the SMILES notation for N-pentyl-4-[(4-propylcyclohexyl)methoxy]cyclohexan-1-amine?
The canonical SMILES for N-pentyl-4-[(4-propylcyclohexyl)methoxy]cyclohexan-1-amine is CCCCCNC1CCC(OCC2CCC(CCC)CC2)CC1.
What is the InChIKey of N-pentyl-4-[(4-propylcyclohexyl)methoxy]cyclohexan-1-amine?
The InChIKey is LJRWCGNVDSCAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41NO/c1-3-5-6-16-22-20-12-14-21(15-13-20)23-17-19-10-8-18(7-4-2)9-11-19/h18-22H,3-17H2,1-2H3.
What are the key properties of N-pentyl-4-[(4-propylcyclohexyl)methoxy]cyclohexan-1-amine?
N-pentyl-4-[(4-propylcyclohexyl)methoxy]cyclohexan-1-amine has a molecular weight of 323.57 g/mol, XLogP of 5.70, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-4-[(4-propylcyclohexyl)methoxy]cyclohexan-1-amine is sourced from PubChem (CID 20516751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).