4-(5-phenylpentylamino)cyclohexane-1-carboxylic acid

C18H27NO2 — CID 122030961

IUPAC4-(5-phenylpentylamino)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NCCCCCc2ccccc2)CC1
InChIInChI=1S/C18H27NO2/c20-18(21)16-10-12-17(13-11-16)19-14-6-2-5-9-15-7-3-1-4-8-15/h1,3-4,7-8,16-17,19H,2,5-6,9-14H2,(H,20,21)
InChIKeyFMXHCSLBCHGMJE-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.63
Rot. Bonds8

About 4-(5-phenylpentylamino)cyclohexane-1-carboxylic acid

4-(5-phenylpentylamino)cyclohexane-1-carboxylic acid (PubChem CID 122030961) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 4-(5-phenylpentylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(5-phenylpentylamino)cyclohexane-1-carboxylic acid
PubChem CID122030961
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name4-(5-phenylpentylamino)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NCCCCCc2ccccc2)CC1
InChIInChI=1S/C18H27NO2/c20-18(21)16-10-12-17(13-11-16)19-14-6-2-5-9-15-7-3-1-4-8-15/h1,3-4,7-8,16-17,19H,2,5-6,9-14H2,(H,20,21)
InChIKeyFMXHCSLBCHGMJE-UHFFFAOYSA-N
XLogP3.63
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(5-phenylpentylamino)cyclohexane-1-carboxylic acid with MolForge

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

Launch Full Analysis

Related Compounds

4-(4-phenylbutylamino)cyclohexane-1-carboxamide
CID 114333233
4-(3-phenylpropylamino)cyclohexane-1-carboxamide
CID 43748734
4-[3-[3-(trifluoromethyl)phenyl]propylamino]cyclohexane-1-carboxylic acid
CID 122030753
N-(4-phenylbutyl)thian-4-amine
CID 115575565
N-(4-phenylbutyl)piperidin-4-amine
CID 44592823
N-(4-phenylbutyl)oxan-4-amine
CID 115651772
1-(5-phenylpentylcarbamoyl)piperidine-4-carboxylic acid
CID 122000468
1-cyclopropyl-3-(4-phenylbutyl)urea
CID 108887631
4-(pentylamino)cyclohexane-1-carboxylic acid
CID 60810044
N-(3-phenylpropyl)cyclododecanamine
CID 83958228
4-(3-phenylpropylamino)cyclohexan-1-one
CID 15290860
1-(4-phenylbutyl)-N-(3-phenylpropyl)piperidin-4-amine
CID 24786198

Frequently Asked Questions

What is the IUPAC name of 4-(5-phenylpentylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(5-phenylpentylamino)cyclohexane-1-carboxylic acid (CID 122030961) is 4-(5-phenylpentylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(5-phenylpentylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(5-phenylpentylamino)cyclohexane-1-carboxylic acid is O=C(O)C1CCC(NCCCCCc2ccccc2)CC1.
What is the InChIKey of 4-(5-phenylpentylamino)cyclohexane-1-carboxylic acid?
The InChIKey is FMXHCSLBCHGMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c20-18(21)16-10-12-17(13-11-16)19-14-6-2-5-9-15-7-3-1-4-8-15/h1,3-4,7-8,16-17,19H,2,5-6,9-14H2,(H,20,21).
What are the key properties of 4-(5-phenylpentylamino)cyclohexane-1-carboxylic acid?
4-(5-phenylpentylamino)cyclohexane-1-carboxylic acid has a molecular weight of 289.42 g/mol, XLogP of 3.63, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-phenylpentylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122030961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).