azane;N-propyltetradecan-1-amine

C17H40N2 — CID 18792183

IUPACazane;N-propyltetradecan-1-amine
SMILESCCCCCCCCCCCCCCNCCC.N
InChIInChI=1S/C17H37N.H3N/c1-3-5-6-7-8-9-10-11-12-13-14-15-17-18-16-4-2;/h18H,3-17H2,1-2H3;1H3
InChIKeyOCVHLFAUVVINMV-UHFFFAOYSA-N
MW272.52 g/mol
LogP5.85
Rot. Bonds15

About azane;N-propyltetradecan-1-amine

azane;N-propyltetradecan-1-amine (PubChem CID 18792183) has the molecular formula C17H40N2 and a molecular weight of 272.52 g/mol. Its IUPAC name is azane;N-propyltetradecan-1-amine.

Molecular Properties

Compound Nameazane;N-propyltetradecan-1-amine
PubChem CID18792183
Molecular FormulaC17H40N2
Molecular Weight272.52 g/mol
Exact Mass272.32
IUPAC Nameazane;N-propyltetradecan-1-amine
SMILESCCCCCCCCCCCCCCNCCC.N
InChIInChI=1S/C17H37N.H3N/c1-3-5-6-7-8-9-10-11-12-13-14-15-17-18-16-4-2;/h18H,3-17H2,1-2H3;1H3
InChIKeyOCVHLFAUVVINMV-UHFFFAOYSA-N
XLogP5.85
TPSA47.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.52
LogP ≤ 55.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-propylhexadecan-1-amine
CID 18792182
N-propyloctadecan-1-amine;hydrofluoride
CID 88723062
N-propylhexadecan-1-amine;hydroiodide
CID 175532385
N-propyldodecan-1-amine;hydrate
CID 175137397
azane;N-hexyldecan-1-amine;dihydroiodide
CID 173206397
N,N'-diheptylhexane-1,6-diamine
CID 3028571
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'-dipropylicosane-1,20-diamine;dihydrobromide
CID 173263708
N-docosyldocosan-1-amine;hydrochloride
CID 173181498

Frequently Asked Questions

What is the IUPAC name of azane;N-propyltetradecan-1-amine?
The IUPAC name of azane;N-propyltetradecan-1-amine (CID 18792183) is azane;N-propyltetradecan-1-amine.
What is the SMILES notation for azane;N-propyltetradecan-1-amine?
The canonical SMILES for azane;N-propyltetradecan-1-amine is CCCCCCCCCCCCCCNCCC.N.
What is the InChIKey of azane;N-propyltetradecan-1-amine?
The InChIKey is OCVHLFAUVVINMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N.H3N/c1-3-5-6-7-8-9-10-11-12-13-14-15-17-18-16-4-2;/h18H,3-17H2,1-2H3;1H3.
What are the key properties of azane;N-propyltetradecan-1-amine?
azane;N-propyltetradecan-1-amine has a molecular weight of 272.52 g/mol, XLogP of 5.85, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;N-propyltetradecan-1-amine is sourced from PubChem (CID 18792183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).