pentadecan-1-amine

C15H33N — CID 17386

IUPACpentadecan-1-amine
SMILESCCCCCCCCCCCCCCCN
InChIInChI=1S/C15H33N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h2-16H2,1H3
InChIKeyJPZYXGPCHFZBHO-UHFFFAOYSA-N
MW227.44 g/mol
LogP5.04
Rot. Bonds13

About pentadecan-1-amine

pentadecan-1-amine (PubChem CID 17386) has the molecular formula C15H33N and a molecular weight of 227.44 g/mol. Its IUPAC name is pentadecan-1-amine.

Molecular Properties

Compound Namepentadecan-1-amine
PubChem CID17386
Molecular FormulaC15H33N
Molecular Weight227.44 g/mol
Exact Mass227.26
IUPAC Namepentadecan-1-amine
SMILESCCCCCCCCCCCCCCCN
InChIInChI=1S/C15H33N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h2-16H2,1H3
InChIKeyJPZYXGPCHFZBHO-UHFFFAOYSA-N
XLogP5.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500227.44
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of pentadecan-1-amine?
The IUPAC name of pentadecan-1-amine (CID 17386) is pentadecan-1-amine.
What is the SMILES notation for pentadecan-1-amine?
The canonical SMILES for pentadecan-1-amine is CCCCCCCCCCCCCCCN.
What is the InChIKey of pentadecan-1-amine?
The InChIKey is JPZYXGPCHFZBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h2-16H2,1H3.
What are the key properties of pentadecan-1-amine?
pentadecan-1-amine has a molecular weight of 227.44 g/mol, XLogP of 5.04, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pentadecan-1-amine is sourced from PubChem (CID 17386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).