1-N,8-N-bis[(E)-dec-1-enyl]-5-methylnonane-1,8-diamine

C30H60N2 — CID 21069702

IUPAC1-N,8-N-bis[(E)-dec-1-enyl]-5-methylnonane-1,8-diamine
SMILESCCCCCCCC/C=C/NCCCCC(C)CCC(C)N/C=C/CCCCCCCC
InChIInChI=1S/C30H60N2/c1-5-7-9-11-13-15-17-20-26-31-27-22-19-23-29(3)24-25-30(4)32-28-21-18-16-14-12-10-8-6-2/h20-21,26,28-32H,5-19,22-25,27H2,1-4H3/b26-20+,28-21+
InChIKeyUTSYGMGUMSODKP-MYTTYJJWSA-N
MW448.82 g/mol
LogP9.67
Rot. Bonds25

About 1-N,8-N-bis[(E)-dec-1-enyl]-5-methylnonane-1,8-diamine

1-N,8-N-bis[(E)-dec-1-enyl]-5-methylnonane-1,8-diamine (PubChem CID 21069702) has the molecular formula C30H60N2 and a molecular weight of 448.82 g/mol. Its IUPAC name is 1-N,8-N-bis[(E)-dec-1-enyl]-5-methylnonane-1,8-diamine.

Molecular Properties

Compound Name1-N,8-N-bis[(E)-dec-1-enyl]-5-methylnonane-1,8-diamine
PubChem CID21069702
Molecular FormulaC30H60N2
Molecular Weight448.82 g/mol
Exact Mass448.48
IUPAC Name1-N,8-N-bis[(E)-dec-1-enyl]-5-methylnonane-1,8-diamine
SMILESCCCCCCCC/C=C/NCCCCC(C)CCC(C)N/C=C/CCCCCCCC
InChIInChI=1S/C30H60N2/c1-5-7-9-11-13-15-17-20-26-31-27-22-19-23-29(3)24-25-30(4)32-28-21-18-16-14-12-10-8-6-2/h20-21,26,28-32H,5-19,22-25,27H2,1-4H3/b26-20+,28-21+
InChIKeyUTSYGMGUMSODKP-MYTTYJJWSA-N
XLogP9.67
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds25
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.82
LogP ≤ 59.67
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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Frequently Asked Questions

What is the IUPAC name of 1-N,8-N-bis[(E)-dec-1-enyl]-5-methylnonane-1,8-diamine?
The IUPAC name of 1-N,8-N-bis[(E)-dec-1-enyl]-5-methylnonane-1,8-diamine (CID 21069702) is 1-N,8-N-bis[(E)-dec-1-enyl]-5-methylnonane-1,8-diamine.
What is the SMILES notation for 1-N,8-N-bis[(E)-dec-1-enyl]-5-methylnonane-1,8-diamine?
The canonical SMILES for 1-N,8-N-bis[(E)-dec-1-enyl]-5-methylnonane-1,8-diamine is CCCCCCCC/C=C/NCCCCC(C)CCC(C)N/C=C/CCCCCCCC.
What is the InChIKey of 1-N,8-N-bis[(E)-dec-1-enyl]-5-methylnonane-1,8-diamine?
The InChIKey is UTSYGMGUMSODKP-MYTTYJJWSA-N. The full InChI is InChI=1S/C30H60N2/c1-5-7-9-11-13-15-17-20-26-31-27-22-19-23-29(3)24-25-30(4)32-28-21-18-16-14-12-10-8-6-2/h20-21,26,28-32H,5-19,22-25,27H2,1-4H3/b26-20+,28-21+.
What are the key properties of 1-N,8-N-bis[(E)-dec-1-enyl]-5-methylnonane-1,8-diamine?
1-N,8-N-bis[(E)-dec-1-enyl]-5-methylnonane-1,8-diamine has a molecular weight of 448.82 g/mol, XLogP of 9.67, 25 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,8-N-bis[(E)-dec-1-enyl]-5-methylnonane-1,8-diamine is sourced from PubChem (CID 21069702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).