5-(2-pentylphenyl)pentan-1-amine

C16H27N — CID 54207535

IUPAC5-(2-pentylphenyl)pentan-1-amine
SMILESCCCCCc1ccccc1CCCCCN
InChIInChI=1S/C16H27N/c1-2-3-5-10-15-12-7-8-13-16(15)11-6-4-9-14-17/h7-8,12-13H,2-6,9-11,14,17H2,1H3
InChIKeyKISGRWQAHGREEB-UHFFFAOYSA-N
MW233.40 g/mol
LogP4.09
Rot. Bonds9

About 5-(2-pentylphenyl)pentan-1-amine

5-(2-pentylphenyl)pentan-1-amine (PubChem CID 54207535) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 5-(2-pentylphenyl)pentan-1-amine.

Molecular Properties

Compound Name5-(2-pentylphenyl)pentan-1-amine
PubChem CID54207535
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name5-(2-pentylphenyl)pentan-1-amine
SMILESCCCCCc1ccccc1CCCCCN
InChIInChI=1S/C16H27N/c1-2-3-5-10-15-12-7-8-13-16(15)11-6-4-9-14-17/h7-8,12-13H,2-6,9-11,14,17H2,1H3
InChIKeyKISGRWQAHGREEB-UHFFFAOYSA-N
XLogP4.09
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-(2-pentylphenyl)pentan-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

Related Compounds

1-dodecyl-2-hexylbenzene
CID 19371073
1-nonyl-2-pentylbenzene
CID 54050070
1-hexadecyl-2-pentylbenzene
CID 53438584
1,2-di(nonadecyl)benzene
CID 101289987
1,2-di(undecyl)benzene
CID 3019479
(2-heptylphenyl)methanamine
CID 57355618
1,2-dihexylbenzene;hydrate
CID 172833093
1-(2-fluoroethyl)-2-hexylbenzene
CID 141319097
1-ethyl-2-henicosylbenzene
CID 141174443
1,2-didecylbenzene;phosphonous acid
CID 70526437
(2-octylphenyl)methanol
CID 19826681
1-(chloromethyl)-2-decylbenzene
CID 14385709

Frequently Asked Questions

What is the IUPAC name of 5-(2-pentylphenyl)pentan-1-amine?
The IUPAC name of 5-(2-pentylphenyl)pentan-1-amine (CID 54207535) is 5-(2-pentylphenyl)pentan-1-amine.
What is the SMILES notation for 5-(2-pentylphenyl)pentan-1-amine?
The canonical SMILES for 5-(2-pentylphenyl)pentan-1-amine is CCCCCc1ccccc1CCCCCN.
What is the InChIKey of 5-(2-pentylphenyl)pentan-1-amine?
The InChIKey is KISGRWQAHGREEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-2-3-5-10-15-12-7-8-13-16(15)11-6-4-9-14-17/h7-8,12-13H,2-6,9-11,14,17H2,1H3.
What are the key properties of 5-(2-pentylphenyl)pentan-1-amine?
5-(2-pentylphenyl)pentan-1-amine has a molecular weight of 233.40 g/mol, XLogP of 4.09, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-pentylphenyl)pentan-1-amine is sourced from PubChem (CID 54207535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).