3-iminopentadecan-1-amine

C15H32N2 — CID 57014243

IUPAC3-iminopentadecan-1-amine
SMILES[H]/N=C(\CCN)CCCCCCCCCCCC
InChIInChI=1S/C15H32N2/c1-2-3-4-5-6-7-8-9-10-11-12-15(17)13-14-16/h17H,2-14,16H2,1H3/b17-15-
InChIKeyINDPYCYKAGTHLI-ICFOKQHNSA-N
MW240.43 g/mol
LogP4.67
Rot. Bonds13

About 3-iminopentadecan-1-amine

3-iminopentadecan-1-amine (PubChem CID 57014243) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is 3-iminopentadecan-1-amine.

Molecular Properties

Compound Name3-iminopentadecan-1-amine
PubChem CID57014243
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC Name3-iminopentadecan-1-amine
SMILES[H]/N=C(\CCN)CCCCCCCCCCCC
InChIInChI=1S/C15H32N2/c1-2-3-4-5-6-7-8-9-10-11-12-15(17)13-14-16/h17H,2-14,16H2,1H3/b17-15-
InChIKeyINDPYCYKAGTHLI-ICFOKQHNSA-N
XLogP4.67
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-iminopentadecan-1-amine?
The IUPAC name of 3-iminopentadecan-1-amine (CID 57014243) is 3-iminopentadecan-1-amine.
What is the SMILES notation for 3-iminopentadecan-1-amine?
The canonical SMILES for 3-iminopentadecan-1-amine is [H]/N=C(\CCN)CCCCCCCCCCCC.
What is the InChIKey of 3-iminopentadecan-1-amine?
The InChIKey is INDPYCYKAGTHLI-ICFOKQHNSA-N. The full InChI is InChI=1S/C15H32N2/c1-2-3-4-5-6-7-8-9-10-11-12-15(17)13-14-16/h17H,2-14,16H2,1H3/b17-15-.
What are the key properties of 3-iminopentadecan-1-amine?
3-iminopentadecan-1-amine has a molecular weight of 240.43 g/mol, XLogP of 4.67, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iminopentadecan-1-amine is sourced from PubChem (CID 57014243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).