N-butyltetradecan-1-amine

C18H39N — CID 3548872

IUPACN-butyltetradecan-1-amine
SMILESCCCCCCCCCCCCCCNCCCC
InChIInChI=1S/C18H39N/c1-3-5-7-8-9-10-11-12-13-14-15-16-18-19-17-6-4-2/h19H,3-18H2,1-2H3
InChIKeyUJKKZYQQIARLRJ-UHFFFAOYSA-N
MW269.52 g/mol
LogP6.08
Rot. Bonds16

About N-butyltetradecan-1-amine

N-butyltetradecan-1-amine (PubChem CID 3548872) has the molecular formula C18H39N and a molecular weight of 269.52 g/mol. Its IUPAC name is N-butyltetradecan-1-amine.

Molecular Properties

Compound NameN-butyltetradecan-1-amine
PubChem CID3548872
Molecular FormulaC18H39N
Molecular Weight269.52 g/mol
Exact Mass269.31
IUPAC NameN-butyltetradecan-1-amine
SMILESCCCCCCCCCCCCCCNCCCC
InChIInChI=1S/C18H39N/c1-3-5-7-8-9-10-11-12-13-14-15-16-18-19-17-6-4-2/h19H,3-18H2,1-2H3
InChIKeyUJKKZYQQIARLRJ-UHFFFAOYSA-N
XLogP6.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.52
LogP ≤ 56.08
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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Related Compounds

N-hexyltridecan-1-amine
CID 87659278
octane;N-octylnonan-1-amine
CID 145152206
N-undecyltetradecan-1-amine
CID 166059375
N,N'-diheptyldecane-1,10-diamine
CID 3028161
N,N'-diheptylhexane-1,6-diamine
CID 3028571
N-docosyldocosan-1-amine;hydrochloride
CID 173181498
N,N'-di(nonyl)ethane-1,2-diamine
CID 151189669
methane;N-octyloctan-1-amine
CID 87294693
N-hexylhexan-1-amine;hydrochloride
CID 519999
N-octylnonan-1-amine;hydrochloride
CID 90480847
azane;N-hexyldecan-1-amine;dihydroiodide
CID 173206397
sulfanium;N-decyldecan-1-amine;chloride
CID 158756952

Frequently Asked Questions

What is the IUPAC name of N-butyltetradecan-1-amine?
The IUPAC name of N-butyltetradecan-1-amine (CID 3548872) is N-butyltetradecan-1-amine.
What is the SMILES notation for N-butyltetradecan-1-amine?
The canonical SMILES for N-butyltetradecan-1-amine is CCCCCCCCCCCCCCNCCCC.
What is the InChIKey of N-butyltetradecan-1-amine?
The InChIKey is UJKKZYQQIARLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39N/c1-3-5-7-8-9-10-11-12-13-14-15-16-18-19-17-6-4-2/h19H,3-18H2,1-2H3.
What are the key properties of N-butyltetradecan-1-amine?
N-butyltetradecan-1-amine has a molecular weight of 269.52 g/mol, XLogP of 6.08, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyltetradecan-1-amine is sourced from PubChem (CID 3548872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).