1-N'-[(4Z)-4-ethenylhepta-4,6-dienyl]-1-N-[(4Z,5Z)-4-ethylideneocta-5,7-dienyl]ethene-1,1-diamine

C21H32N2 — CID 144815195

IUPAC1-N'-[(4Z)-4-ethenylhepta-4,6-dienyl]-1-N-[(4Z,5Z)-4-ethylideneocta-5,7-dienyl]ethene-1,1-diamine
SMILESC=C/C=C\C(=C/C)CCCNC(=C)NCCC/C(C=C)=C/C=C
InChIInChI=1S/C21H32N2/c1-6-10-14-21(9-4)16-12-18-23-19(5)22-17-11-15-20(8-3)13-7-2/h6-10,13-14,22-23H,1-3,5,11-12,15-18H2,4H3/b14-10-,20-13+,21-9+
InChIKeyDOXVGJRJSQMPMB-CGFIWROCSA-N
MW312.50 g/mol
LogP5.18
Rot. Bonds14

About 1-N'-[(4Z)-4-ethenylhepta-4,6-dienyl]-1-N-[(4Z,5Z)-4-ethylideneocta-5,7-dienyl]ethene-1,1-diamine

1-N'-[(4Z)-4-ethenylhepta-4,6-dienyl]-1-N-[(4Z,5Z)-4-ethylideneocta-5,7-dienyl]ethene-1,1-diamine (PubChem CID 144815195) has the molecular formula C21H32N2 and a molecular weight of 312.50 g/mol. Its IUPAC name is 1-N'-[(4Z)-4-ethenylhepta-4,6-dienyl]-1-N-[(4Z,5Z)-4-ethylideneocta-5,7-dienyl]ethene-1,1-diamine.

Molecular Properties

Compound Name1-N'-[(4Z)-4-ethenylhepta-4,6-dienyl]-1-N-[(4Z,5Z)-4-ethylideneocta-5,7-dienyl]ethene-1,1-diamine
PubChem CID144815195
Molecular FormulaC21H32N2
Molecular Weight312.50 g/mol
Exact Mass312.26
IUPAC Name1-N'-[(4Z)-4-ethenylhepta-4,6-dienyl]-1-N-[(4Z,5Z)-4-ethylideneocta-5,7-dienyl]ethene-1,1-diamine
SMILESC=C/C=C\C(=C/C)CCCNC(=C)NCCC/C(C=C)=C/C=C
InChIInChI=1S/C21H32N2/c1-6-10-14-21(9-4)16-12-18-23-19(5)22-17-11-15-20(8-3)13-7-2/h6-10,13-14,22-23H,1-3,5,11-12,15-18H2,4H3/b14-10-,20-13+,21-9+
InChIKeyDOXVGJRJSQMPMB-CGFIWROCSA-N
XLogP5.18
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.50
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-N'-[(4Z)-4-ethenylhepta-4,6-dienyl]-1-N-[(4Z,5Z)-4-ethylideneocta-5,7-dienyl]ethene-1,1-diamine?
The IUPAC name of 1-N'-[(4Z)-4-ethenylhepta-4,6-dienyl]-1-N-[(4Z,5Z)-4-ethylideneocta-5,7-dienyl]ethene-1,1-diamine (CID 144815195) is 1-N'-[(4Z)-4-ethenylhepta-4,6-dienyl]-1-N-[(4Z,5Z)-4-ethylideneocta-5,7-dienyl]ethene-1,1-diamine.
What is the SMILES notation for 1-N'-[(4Z)-4-ethenylhepta-4,6-dienyl]-1-N-[(4Z,5Z)-4-ethylideneocta-5,7-dienyl]ethene-1,1-diamine?
The canonical SMILES for 1-N'-[(4Z)-4-ethenylhepta-4,6-dienyl]-1-N-[(4Z,5Z)-4-ethylideneocta-5,7-dienyl]ethene-1,1-diamine is C=C/C=C\C(=C/C)CCCNC(=C)NCCC/C(C=C)=C/C=C.
What is the InChIKey of 1-N'-[(4Z)-4-ethenylhepta-4,6-dienyl]-1-N-[(4Z,5Z)-4-ethylideneocta-5,7-dienyl]ethene-1,1-diamine?
The InChIKey is DOXVGJRJSQMPMB-CGFIWROCSA-N. The full InChI is InChI=1S/C21H32N2/c1-6-10-14-21(9-4)16-12-18-23-19(5)22-17-11-15-20(8-3)13-7-2/h6-10,13-14,22-23H,1-3,5,11-12,15-18H2,4H3/b14-10-,20-13+,21-9+.
What are the key properties of 1-N'-[(4Z)-4-ethenylhepta-4,6-dienyl]-1-N-[(4Z,5Z)-4-ethylideneocta-5,7-dienyl]ethene-1,1-diamine?
1-N'-[(4Z)-4-ethenylhepta-4,6-dienyl]-1-N-[(4Z,5Z)-4-ethylideneocta-5,7-dienyl]ethene-1,1-diamine has a molecular weight of 312.50 g/mol, XLogP of 5.18, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-[(4Z)-4-ethenylhepta-4,6-dienyl]-1-N-[(4Z,5Z)-4-ethylideneocta-5,7-dienyl]ethene-1,1-diamine is sourced from PubChem (CID 144815195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).