(1Z,4Z)-5-N,5-N-bis(ethenyl)-1-N,4-diethylhepta-1,4,6-triene-1,5-diamine

C15H24N2 — CID 118181225

IUPAC(1Z,4Z)-5-N,5-N-bis(ethenyl)-1-N,4-diethylhepta-1,4,6-triene-1,5-diamine
SMILESC=C/C(=C(\CC)C/C=C\NCC)N(C=C)C=C
InChIInChI=1S/C15H24N2/c1-6-14(12-11-13-16-8-3)15(7-2)17(9-4)10-5/h7,9-11,13,16H,2,4-6,8,12H2,1,3H3/b13-11-,15-14-
InChIKeyMGTQRMIVYVGIJL-WABAVOORSA-N
MW232.37 g/mol
LogP3.94
Rot. Bonds9

About (1Z,4Z)-5-N,5-N-bis(ethenyl)-1-N,4-diethylhepta-1,4,6-triene-1,5-diamine

(1Z,4Z)-5-N,5-N-bis(ethenyl)-1-N,4-diethylhepta-1,4,6-triene-1,5-diamine (PubChem CID 118181225) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is (1Z,4Z)-5-N,5-N-bis(ethenyl)-1-N,4-diethylhepta-1,4,6-triene-1,5-diamine.

Molecular Properties

Compound Name(1Z,4Z)-5-N,5-N-bis(ethenyl)-1-N,4-diethylhepta-1,4,6-triene-1,5-diamine
PubChem CID118181225
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name(1Z,4Z)-5-N,5-N-bis(ethenyl)-1-N,4-diethylhepta-1,4,6-triene-1,5-diamine
SMILESC=C/C(=C(\CC)C/C=C\NCC)N(C=C)C=C
InChIInChI=1S/C15H24N2/c1-6-14(12-11-13-16-8-3)15(7-2)17(9-4)10-5/h7,9-11,13,16H,2,4-6,8,12H2,1,3H3/b13-11-,15-14-
InChIKeyMGTQRMIVYVGIJL-WABAVOORSA-N
XLogP3.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1Z,4Z)-5-N,5-N-bis(ethenyl)-1-N,4-diethylhepta-1,4,6-triene-1,5-diamine?
The IUPAC name of (1Z,4Z)-5-N,5-N-bis(ethenyl)-1-N,4-diethylhepta-1,4,6-triene-1,5-diamine (CID 118181225) is (1Z,4Z)-5-N,5-N-bis(ethenyl)-1-N,4-diethylhepta-1,4,6-triene-1,5-diamine.
What is the SMILES notation for (1Z,4Z)-5-N,5-N-bis(ethenyl)-1-N,4-diethylhepta-1,4,6-triene-1,5-diamine?
The canonical SMILES for (1Z,4Z)-5-N,5-N-bis(ethenyl)-1-N,4-diethylhepta-1,4,6-triene-1,5-diamine is C=C/C(=C(\CC)C/C=C\NCC)N(C=C)C=C.
What is the InChIKey of (1Z,4Z)-5-N,5-N-bis(ethenyl)-1-N,4-diethylhepta-1,4,6-triene-1,5-diamine?
The InChIKey is MGTQRMIVYVGIJL-WABAVOORSA-N. The full InChI is InChI=1S/C15H24N2/c1-6-14(12-11-13-16-8-3)15(7-2)17(9-4)10-5/h7,9-11,13,16H,2,4-6,8,12H2,1,3H3/b13-11-,15-14-.
What are the key properties of (1Z,4Z)-5-N,5-N-bis(ethenyl)-1-N,4-diethylhepta-1,4,6-triene-1,5-diamine?
(1Z,4Z)-5-N,5-N-bis(ethenyl)-1-N,4-diethylhepta-1,4,6-triene-1,5-diamine has a molecular weight of 232.37 g/mol, XLogP of 3.94, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,4Z)-5-N,5-N-bis(ethenyl)-1-N,4-diethylhepta-1,4,6-triene-1,5-diamine is sourced from PubChem (CID 118181225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).