azane;hexadecan-1-amine

C16H38N2 — CID 19891859

IUPACazane;hexadecan-1-amine
SMILESCCCCCCCCCCCCCCCCN.N
InChIInChI=1S/C16H35N.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17;/h2-17H2,1H3;1H3
InChIKeyYVTVZRRBRCXRRU-UHFFFAOYSA-N
MW258.49 g/mol
LogP5.59
Rot. Bonds14

About azane;hexadecan-1-amine

azane;hexadecan-1-amine (PubChem CID 19891859) has the molecular formula C16H38N2 and a molecular weight of 258.49 g/mol. Its IUPAC name is azane;hexadecan-1-amine.

Molecular Properties

Compound Nameazane;hexadecan-1-amine
PubChem CID19891859
Molecular FormulaC16H38N2
Molecular Weight258.49 g/mol
Exact Mass258.30
IUPAC Nameazane;hexadecan-1-amine
SMILESCCCCCCCCCCCCCCCCN.N
InChIInChI=1S/C16H35N.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17;/h2-17H2,1H3;1H3
InChIKeyYVTVZRRBRCXRRU-UHFFFAOYSA-N
XLogP5.59
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.49
LogP ≤ 55.59
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

tridecan-1-amine;undecan-1-amine
CID 23045943
butane-1,4-diamine;hexan-1-amine
CID 162097736
decan-1-amine;hexan-1-amine
CID 162216125
hexacosan-1-amine
CID 14550481
dotetracontan-1-amine
CID 14550497
tetracosan-1-amine;hydrobromide
CID 175600580
decane;decane-1,10-diamine;methanediamine
CID 158649191
octadecan-1-amine;titanium
CID 174493472
octadecan-1-amine;trihydrochloride
CID 175177898
copper;hexan-1-amine
CID 87269039
nonan-1-amine;dihydrate
CID 174770026
pentadecan-1-amine;hydrobromide
CID 173087623

Frequently Asked Questions

What is the IUPAC name of azane;hexadecan-1-amine?
The IUPAC name of azane;hexadecan-1-amine (CID 19891859) is azane;hexadecan-1-amine.
What is the SMILES notation for azane;hexadecan-1-amine?
The canonical SMILES for azane;hexadecan-1-amine is CCCCCCCCCCCCCCCCN.N.
What is the InChIKey of azane;hexadecan-1-amine?
The InChIKey is YVTVZRRBRCXRRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17;/h2-17H2,1H3;1H3.
What are the key properties of azane;hexadecan-1-amine?
azane;hexadecan-1-amine has a molecular weight of 258.49 g/mol, XLogP of 5.59, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;hexadecan-1-amine is sourced from PubChem (CID 19891859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).