(Z)-N'-[(Z)-2-methylhept-2-enyl]-N'-[(E)-2,4,4,7-tetramethylnon-7-en-2-yl]ethene-1,2-diamine

C23H44N2 — CID 130444245

IUPAC(Z)-N'-[(Z)-2-methylhept-2-enyl]-N'-[(E)-2,4,4,7-tetramethylnon-7-en-2-yl]ethene-1,2-diamine
SMILESC/C=C(\C)CCC(C)(C)CC(C)(C)N(/C=C\N)C/C(C)=C\CCCC
InChIInChI=1S/C23H44N2/c1-9-11-12-13-21(4)18-25(17-16-24)23(7,8)19-22(5,6)15-14-20(3)10-2/h10,13,16-17H,9,11-12,14-15,18-19,24H2,1-8H3/b17-16-,20-10+,21-13-
InChIKeyCFGDAMQPROJXCW-IHHZGFKASA-N
MW348.62 g/mol
LogP6.80
Rot. Bonds12

About (Z)-N'-[(Z)-2-methylhept-2-enyl]-N'-[(E)-2,4,4,7-tetramethylnon-7-en-2-yl]ethene-1,2-diamine

(Z)-N'-[(Z)-2-methylhept-2-enyl]-N'-[(E)-2,4,4,7-tetramethylnon-7-en-2-yl]ethene-1,2-diamine (PubChem CID 130444245) has the molecular formula C23H44N2 and a molecular weight of 348.62 g/mol. Its IUPAC name is (Z)-N'-[(Z)-2-methylhept-2-enyl]-N'-[(E)-2,4,4,7-tetramethylnon-7-en-2-yl]ethene-1,2-diamine.

Molecular Properties

Compound Name(Z)-N'-[(Z)-2-methylhept-2-enyl]-N'-[(E)-2,4,4,7-tetramethylnon-7-en-2-yl]ethene-1,2-diamine
PubChem CID130444245
Molecular FormulaC23H44N2
Molecular Weight348.62 g/mol
Exact Mass348.35
IUPAC Name(Z)-N'-[(Z)-2-methylhept-2-enyl]-N'-[(E)-2,4,4,7-tetramethylnon-7-en-2-yl]ethene-1,2-diamine
SMILESC/C=C(\C)CCC(C)(C)CC(C)(C)N(/C=C\N)C/C(C)=C\CCCC
InChIInChI=1S/C23H44N2/c1-9-11-12-13-21(4)18-25(17-16-24)23(7,8)19-22(5,6)15-14-20(3)10-2/h10,13,16-17H,9,11-12,14-15,18-19,24H2,1-8H3/b17-16-,20-10+,21-13-
InChIKeyCFGDAMQPROJXCW-IHHZGFKASA-N
XLogP6.80
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.62
LogP ≤ 56.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-N'-[(Z)-2-methylhept-2-enyl]-N'-[(E)-2,4,4,7-tetramethylnon-7-en-2-yl]ethene-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-N'-[(Z)-2-methylhept-2-enyl]-N'-[(E)-2,4,4,7-tetramethylnon-7-en-2-yl]ethene-1,2-diamine?
The IUPAC name of (Z)-N'-[(Z)-2-methylhept-2-enyl]-N'-[(E)-2,4,4,7-tetramethylnon-7-en-2-yl]ethene-1,2-diamine (CID 130444245) is (Z)-N'-[(Z)-2-methylhept-2-enyl]-N'-[(E)-2,4,4,7-tetramethylnon-7-en-2-yl]ethene-1,2-diamine.
What is the SMILES notation for (Z)-N'-[(Z)-2-methylhept-2-enyl]-N'-[(E)-2,4,4,7-tetramethylnon-7-en-2-yl]ethene-1,2-diamine?
The canonical SMILES for (Z)-N'-[(Z)-2-methylhept-2-enyl]-N'-[(E)-2,4,4,7-tetramethylnon-7-en-2-yl]ethene-1,2-diamine is C/C=C(\C)CCC(C)(C)CC(C)(C)N(/C=C\N)C/C(C)=C\CCCC.
What is the InChIKey of (Z)-N'-[(Z)-2-methylhept-2-enyl]-N'-[(E)-2,4,4,7-tetramethylnon-7-en-2-yl]ethene-1,2-diamine?
The InChIKey is CFGDAMQPROJXCW-IHHZGFKASA-N. The full InChI is InChI=1S/C23H44N2/c1-9-11-12-13-21(4)18-25(17-16-24)23(7,8)19-22(5,6)15-14-20(3)10-2/h10,13,16-17H,9,11-12,14-15,18-19,24H2,1-8H3/b17-16-,20-10+,21-13-.
What are the key properties of (Z)-N'-[(Z)-2-methylhept-2-enyl]-N'-[(E)-2,4,4,7-tetramethylnon-7-en-2-yl]ethene-1,2-diamine?
(Z)-N'-[(Z)-2-methylhept-2-enyl]-N'-[(E)-2,4,4,7-tetramethylnon-7-en-2-yl]ethene-1,2-diamine has a molecular weight of 348.62 g/mol, XLogP of 6.80, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N'-[(Z)-2-methylhept-2-enyl]-N'-[(E)-2,4,4,7-tetramethylnon-7-en-2-yl]ethene-1,2-diamine is sourced from PubChem (CID 130444245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).