N,N-dipentylpentan-1-amine

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
MW227.44 g/mol
LogP4.86
Rot. Bonds12

About N,N-dipentylpentan-1-amine

N,N-dipentylpentan-1-amine (PubChem CID 12133) has the molecular formula C15H33N and a molecular weight of 227.44 g/mol. Its IUPAC name is N,N-dipentylpentan-1-amine.

Molecular Properties

Compound NameN,N-dipentylpentan-1-amine
PubChem CID12133
Molecular FormulaC15H33N
Molecular Weight227.44 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
XLogP4.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.44
LogP ≤ 54.86
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 N,N-dipentylpentan-1-amine?
The IUPAC name of N,N-dipentylpentan-1-amine (CID 12133) is N,N-dipentylpentan-1-amine.
What is the SMILES notation for N,N-dipentylpentan-1-amine?
The canonical SMILES for N,N-dipentylpentan-1-amine is CCCCCN(CCCCC)CCCCC.
What is the InChIKey of N,N-dipentylpentan-1-amine?
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 N,N-dipentylpentan-1-amine?
N,N-dipentylpentan-1-amine has a molecular weight of 227.44 g/mol, XLogP of 4.86, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dipentylpentan-1-amine is sourced from PubChem (CID 12133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).