hexadecan-1-amine

C16H35N — CID 8926

IUPAChexadecan-1-amine
SMILESCCCCCCCCCCCCCCCCN
InChIInChI=1S/C16H35N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-17H2,1H3
InChIKeyFJLUATLTXUNBOT-UHFFFAOYSA-N
MW241.46 g/mol
LogP5.43
Rot. Bonds14

About hexadecan-1-amine

hexadecan-1-amine (PubChem CID 8926) has the molecular formula C16H35N and a molecular weight of 241.46 g/mol. Its IUPAC name is hexadecan-1-amine.

Molecular Properties

Compound Namehexadecan-1-amine
PubChem CID8926
Molecular FormulaC16H35N
Molecular Weight241.46 g/mol
Exact Mass241.28
IUPAC Namehexadecan-1-amine
SMILESCCCCCCCCCCCCCCCCN
InChIInChI=1S/C16H35N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-17H2,1H3
InChIKeyFJLUATLTXUNBOT-UHFFFAOYSA-N
XLogP5.43
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500241.46
LogP ≤ 55.43
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

Octylamine
CID 8143
1,8-Octanediamine
CID 24250
Octadecylamine
CID 15793
1,10-Decanediamine
CID 1317
Dodecylammonium chloride
CID 458426
Decylamine
CID 8916
Tetradecylamine
CID 16217
Dodecylamine
CID 13583
1-Heptanamine
CID 8127
Nonylamine
CID 16215
1,12-Dodecanediamine
CID 17727
Pentadecylamine
CID 17386

Frequently Asked Questions

What is the IUPAC name of hexadecan-1-amine?
The IUPAC name of hexadecan-1-amine (CID 8926) is hexadecan-1-amine.
What is the SMILES notation for hexadecan-1-amine?
The canonical SMILES for hexadecan-1-amine is CCCCCCCCCCCCCCCCN.
What is the InChIKey of hexadecan-1-amine?
The InChIKey is FJLUATLTXUNBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-17H2,1H3.
What are the key properties of hexadecan-1-amine?
hexadecan-1-amine has a molecular weight of 241.46 g/mol, XLogP of 5.43, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hexadecan-1-amine is sourced from PubChem (CID 8926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).