[1-[(4-pentylanilino)methyl]cyclohexyl]methanol

C19H31NO — CID 81400832

IUPAC[1-[(4-pentylanilino)methyl]cyclohexyl]methanol
SMILESCCCCCc1ccc(NCC2(CO)CCCCC2)cc1
InChIInChI=1S/C19H31NO/c1-2-3-5-8-17-9-11-18(12-10-17)20-15-19(16-21)13-6-4-7-14-19/h9-12,20-21H,2-8,13-16H2,1H3
InChIKeyHRVCACXXBCAPLC-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.77
Rot. Bonds8

About [1-[(4-pentylanilino)methyl]cyclohexyl]methanol

[1-[(4-pentylanilino)methyl]cyclohexyl]methanol (PubChem CID 81400832) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is [1-[(4-pentylanilino)methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(4-pentylanilino)methyl]cyclohexyl]methanol
PubChem CID81400832
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name[1-[(4-pentylanilino)methyl]cyclohexyl]methanol
SMILESCCCCCc1ccc(NCC2(CO)CCCCC2)cc1
InChIInChI=1S/C19H31NO/c1-2-3-5-8-17-9-11-18(12-10-17)20-15-19(16-21)13-6-4-7-14-19/h9-12,20-21H,2-8,13-16H2,1H3
InChIKeyHRVCACXXBCAPLC-UHFFFAOYSA-N
XLogP4.77
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [1-[(4-pentylanilino)methyl]cyclohexyl]methanol 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 [1-[(4-pentylanilino)methyl]cyclohexyl]methanol?
The IUPAC name of [1-[(4-pentylanilino)methyl]cyclohexyl]methanol (CID 81400832) is [1-[(4-pentylanilino)methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[(4-pentylanilino)methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[(4-pentylanilino)methyl]cyclohexyl]methanol is CCCCCc1ccc(NCC2(CO)CCCCC2)cc1.
What is the InChIKey of [1-[(4-pentylanilino)methyl]cyclohexyl]methanol?
The InChIKey is HRVCACXXBCAPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-2-3-5-8-17-9-11-18(12-10-17)20-15-19(16-21)13-6-4-7-14-19/h9-12,20-21H,2-8,13-16H2,1H3.
What are the key properties of [1-[(4-pentylanilino)methyl]cyclohexyl]methanol?
[1-[(4-pentylanilino)methyl]cyclohexyl]methanol has a molecular weight of 289.46 g/mol, XLogP of 4.77, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-pentylanilino)methyl]cyclohexyl]methanol is sourced from PubChem (CID 81400832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).