Triamylamine

C15H33N — CID 12133

IUPACN,N-dipentylpentan-1-amine
SMILESCCCCCN(CCCCC)CCCCC
InChIInChI=1S/C15H33N/c1-4-7-10-13-16(14-11-8-5-2)15-12-9-6-3/h4-15H2,1-3H3
InChIKeyOOHAUGDGCWURIT-UHFFFAOYSA-N
MW227.43 g/mol
LogP5.60
Rot. Bonds12

About Triamylamine

Triamylamine (PubChem CID 12133) has the molecular formula C15H33N and a molecular weight of 227.43 g/mol. Its IUPAC name is N,N-dipentylpentan-1-amine.

Molecular Properties

Compound NameTriamylamine
PubChem CID12133
Molecular FormulaC15H33N
Molecular Weight227.43 g/mol
Exact Mass227.26
IUPAC NameN,N-dipentylpentan-1-amine
SMILESCCCCCN(CCCCC)CCCCC
InChIInChI=1S/C15H33N/c1-4-7-10-13-16(14-11-8-5-2)15-12-9-6-3/h4-15H2,1-3H3
InChIKeyOOHAUGDGCWURIT-UHFFFAOYSA-N
XLogP5.60
TPSA3.20 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms16
Complexity98

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500227.43
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Tributylamine
CID 7622
Tetrabutylammonium Bromide
CID 74236
Tetramethylhexamethylenediamine
CID 8097
Hexamethonium
CID 3604
Didecyldimethylammonium
CID 16958
Tetrabutylammonium Iodide
CID 67553
Tetrabutylammonium Fluoride
CID 2724141
N-Methyl-N-octyl-1-octanamine
CID 78202
Tetrabutylammonium
CID 16028
Tetrapentylammonium
CID 17249
Mecetronium
CID 31281
Trioctylamine
CID 14227

Frequently Asked Questions

What is the IUPAC name of Triamylamine?
The IUPAC name of Triamylamine (CID 12133) is N,N-dipentylpentan-1-amine.
What is the SMILES notation for Triamylamine?
The canonical SMILES for Triamylamine is CCCCCN(CCCCC)CCCCC.
What is the InChIKey of Triamylamine?
The InChIKey is OOHAUGDGCWURIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N/c1-4-7-10-13-16(14-11-8-5-2)15-12-9-6-3/h4-15H2,1-3H3.
What are the key properties of Triamylamine?
Triamylamine has a molecular weight of 227.43 g/mol, XLogP of 5.60, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for Triamylamine is sourced from PubChem (CID 12133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).