N-hexyltridecan-1-amine

C19H41N — CID 87659278

IUPACN-hexyltridecan-1-amine
SMILESCCCCCCCCCCCCCNCCCCCC
InChIInChI=1S/C19H41N/c1-3-5-7-9-10-11-12-13-14-15-17-19-20-18-16-8-6-4-2/h20H,3-19H2,1-2H3
InChIKeyBGSYHVKOCNGQOA-UHFFFAOYSA-N
MW283.54 g/mol
LogP6.47
Rot. Bonds17

About N-hexyltridecan-1-amine

N-hexyltridecan-1-amine (PubChem CID 87659278) has the molecular formula C19H41N and a molecular weight of 283.54 g/mol. Its IUPAC name is N-hexyltridecan-1-amine.

Molecular Properties

Compound NameN-hexyltridecan-1-amine
PubChem CID87659278
Molecular FormulaC19H41N
Molecular Weight283.54 g/mol
Exact Mass283.32
IUPAC NameN-hexyltridecan-1-amine
SMILESCCCCCCCCCCCCCNCCCCCC
InChIInChI=1S/C19H41N/c1-3-5-7-9-10-11-12-13-14-15-17-19-20-18-16-8-6-4-2/h20H,3-19H2,1-2H3
InChIKeyBGSYHVKOCNGQOA-UHFFFAOYSA-N
XLogP6.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.54
LogP ≤ 56.47
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

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-butyltetradecan-1-amine
CID 3548872
N-hexylhexan-1-amine;hydrochloride
CID 519999
N-octylnonan-1-amine;hydrochloride
CID 90480847
sulfanium;N-decyldecan-1-amine;chloride
CID 158756952
azane;N-hexyldecan-1-amine;dihydroiodide
CID 173206397

Frequently Asked Questions

What is the IUPAC name of N-hexyltridecan-1-amine?
The IUPAC name of N-hexyltridecan-1-amine (CID 87659278) is N-hexyltridecan-1-amine.
What is the SMILES notation for N-hexyltridecan-1-amine?
The canonical SMILES for N-hexyltridecan-1-amine is CCCCCCCCCCCCCNCCCCCC.
What is the InChIKey of N-hexyltridecan-1-amine?
The InChIKey is BGSYHVKOCNGQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H41N/c1-3-5-7-9-10-11-12-13-14-15-17-19-20-18-16-8-6-4-2/h20H,3-19H2,1-2H3.
What are the key properties of N-hexyltridecan-1-amine?
N-hexyltridecan-1-amine has a molecular weight of 283.54 g/mol, XLogP of 6.47, 17 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyltridecan-1-amine is sourced from PubChem (CID 87659278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).