1-N-ethenyl-8-N-(8-methylnon-8-enyl)non-8-ene-1,8-diamine

C21H40N2 — CID 130251155

IUPAC1-N-ethenyl-8-N-(8-methylnon-8-enyl)non-8-ene-1,8-diamine
SMILESC=CNCCCCCCCC(=C)NCCCCCCCC(=C)C
InChIInChI=1S/C21H40N2/c1-5-22-18-14-10-7-9-13-17-21(4)23-19-15-11-6-8-12-16-20(2)3/h5,22-23H,1-2,4,6-19H2,3H3
InChIKeyQTQKJYYTFDSAOU-UHFFFAOYSA-N
MW320.57 g/mol
LogP6.08
Rot. Bonds18

About 1-N-ethenyl-8-N-(8-methylnon-8-enyl)non-8-ene-1,8-diamine

1-N-ethenyl-8-N-(8-methylnon-8-enyl)non-8-ene-1,8-diamine (PubChem CID 130251155) has the molecular formula C21H40N2 and a molecular weight of 320.57 g/mol. Its IUPAC name is 1-N-ethenyl-8-N-(8-methylnon-8-enyl)non-8-ene-1,8-diamine.

Molecular Properties

Compound Name1-N-ethenyl-8-N-(8-methylnon-8-enyl)non-8-ene-1,8-diamine
PubChem CID130251155
Molecular FormulaC21H40N2
Molecular Weight320.57 g/mol
Exact Mass320.32
IUPAC Name1-N-ethenyl-8-N-(8-methylnon-8-enyl)non-8-ene-1,8-diamine
SMILESC=CNCCCCCCCC(=C)NCCCCCCCC(=C)C
InChIInChI=1S/C21H40N2/c1-5-22-18-14-10-7-9-13-17-21(4)23-19-15-11-6-8-12-16-20(2)3/h5,22-23H,1-2,4,6-19H2,3H3
InChIKeyQTQKJYYTFDSAOU-UHFFFAOYSA-N
XLogP6.08
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.57
LogP ≤ 56.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-N-ethenyl-8-N-(8-methylnon-8-enyl)non-8-ene-1,8-diamine?
The IUPAC name of 1-N-ethenyl-8-N-(8-methylnon-8-enyl)non-8-ene-1,8-diamine (CID 130251155) is 1-N-ethenyl-8-N-(8-methylnon-8-enyl)non-8-ene-1,8-diamine.
What is the SMILES notation for 1-N-ethenyl-8-N-(8-methylnon-8-enyl)non-8-ene-1,8-diamine?
The canonical SMILES for 1-N-ethenyl-8-N-(8-methylnon-8-enyl)non-8-ene-1,8-diamine is C=CNCCCCCCCC(=C)NCCCCCCCC(=C)C.
What is the InChIKey of 1-N-ethenyl-8-N-(8-methylnon-8-enyl)non-8-ene-1,8-diamine?
The InChIKey is QTQKJYYTFDSAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40N2/c1-5-22-18-14-10-7-9-13-17-21(4)23-19-15-11-6-8-12-16-20(2)3/h5,22-23H,1-2,4,6-19H2,3H3.
What are the key properties of 1-N-ethenyl-8-N-(8-methylnon-8-enyl)non-8-ene-1,8-diamine?
1-N-ethenyl-8-N-(8-methylnon-8-enyl)non-8-ene-1,8-diamine has a molecular weight of 320.57 g/mol, XLogP of 6.08, 18 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethenyl-8-N-(8-methylnon-8-enyl)non-8-ene-1,8-diamine is sourced from PubChem (CID 130251155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).