7,14-diimino-N-methylpentadecan-4-amine

C16H33N3 — CID 58318983

IUPAC7,14-diimino-N-methylpentadecan-4-amine
SMILES[H]/N=C(\C)CCCCCC/C(CCC(CCC)NC)=N\[H]
InChIInChI=1S/C16H33N3/c1-4-9-16(19-3)13-12-15(18)11-8-6-5-7-10-14(2)17/h16-19H,4-13H2,1-3H3/b17-14+,18-15+
InChIKeySCNGKLQJWGRAJJ-CJQREAPYSA-N
MW267.46 g/mol
LogP4.55
Rot. Bonds13

About 7,14-diimino-N-methylpentadecan-4-amine

7,14-diimino-N-methylpentadecan-4-amine (PubChem CID 58318983) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is 7,14-diimino-N-methylpentadecan-4-amine.

Molecular Properties

Compound Name7,14-diimino-N-methylpentadecan-4-amine
PubChem CID58318983
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC Name7,14-diimino-N-methylpentadecan-4-amine
SMILES[H]/N=C(\C)CCCCCC/C(CCC(CCC)NC)=N\[H]
InChIInChI=1S/C16H33N3/c1-4-9-16(19-3)13-12-15(18)11-8-6-5-7-10-14(2)17/h16-19H,4-13H2,1-3H3/b17-14+,18-15+
InChIKeySCNGKLQJWGRAJJ-CJQREAPYSA-N
XLogP4.55
TPSA59.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 54.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 7,14-diimino-N-methylpentadecan-4-amine?
The IUPAC name of 7,14-diimino-N-methylpentadecan-4-amine (CID 58318983) is 7,14-diimino-N-methylpentadecan-4-amine.
What is the SMILES notation for 7,14-diimino-N-methylpentadecan-4-amine?
The canonical SMILES for 7,14-diimino-N-methylpentadecan-4-amine is [H]/N=C(\C)CCCCCC/C(CCC(CCC)NC)=N\[H].
What is the InChIKey of 7,14-diimino-N-methylpentadecan-4-amine?
The InChIKey is SCNGKLQJWGRAJJ-CJQREAPYSA-N. The full InChI is InChI=1S/C16H33N3/c1-4-9-16(19-3)13-12-15(18)11-8-6-5-7-10-14(2)17/h16-19H,4-13H2,1-3H3/b17-14+,18-15+.
What are the key properties of 7,14-diimino-N-methylpentadecan-4-amine?
7,14-diimino-N-methylpentadecan-4-amine has a molecular weight of 267.46 g/mol, XLogP of 4.55, 13 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,14-diimino-N-methylpentadecan-4-amine is sourced from PubChem (CID 58318983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).