(3Z,5Z)-N-[(5Z,7Z)-12-[[(2Z,4Z)-2-methylhexa-2,4-dienylidene]amino]dodeca-5,7-dienyl]hepta-3,5-dien-2-imine

C26H40N2 — CID 122582714

IUPAC(3Z,5Z)-N-[(5Z,7Z)-12-[[(2Z,4Z)-2-methylhexa-2,4-dienylidene]amino]dodeca-5,7-dienyl]hepta-3,5-dien-2-imine
SMILESC/C=C\C=C/C(C)=N/CCCC/C=C\C=C/CCCC/N=C/C(C)=C\C=C/C
InChIInChI=1S/C26H40N2/c1-5-7-17-21-26(4)28-23-19-16-14-12-10-9-11-13-15-18-22-27-24-25(3)20-8-6-2/h5-12,17,20-21,24H,13-16,18-19,22-23H2,1-4H3/b7-5-,8-6-,11-9-,12-10-,21-17-,25-20-,27-24+,28-26+
InChIKeyQLOLMDUOGRWZPU-URGOXPILSA-N
MW380.62 g/mol
LogP7.63
Rot. Bonds15

About (3Z,5Z)-N-[(5Z,7Z)-12-[[(2Z,4Z)-2-methylhexa-2,4-dienylidene]amino]dodeca-5,7-dienyl]hepta-3,5-dien-2-imine

(3Z,5Z)-N-[(5Z,7Z)-12-[[(2Z,4Z)-2-methylhexa-2,4-dienylidene]amino]dodeca-5,7-dienyl]hepta-3,5-dien-2-imine (PubChem CID 122582714) has the molecular formula C26H40N2 and a molecular weight of 380.62 g/mol. Its IUPAC name is (3Z,5Z)-N-[(5Z,7Z)-12-[[(2Z,4Z)-2-methylhexa-2,4-dienylidene]amino]dodeca-5,7-dienyl]hepta-3,5-dien-2-imine.

Molecular Properties

Compound Name(3Z,5Z)-N-[(5Z,7Z)-12-[[(2Z,4Z)-2-methylhexa-2,4-dienylidene]amino]dodeca-5,7-dienyl]hepta-3,5-dien-2-imine
PubChem CID122582714
Molecular FormulaC26H40N2
Molecular Weight380.62 g/mol
Exact Mass380.32
IUPAC Name(3Z,5Z)-N-[(5Z,7Z)-12-[[(2Z,4Z)-2-methylhexa-2,4-dienylidene]amino]dodeca-5,7-dienyl]hepta-3,5-dien-2-imine
SMILESC/C=C\C=C/C(C)=N/CCCC/C=C\C=C/CCCC/N=C/C(C)=C\C=C/C
InChIInChI=1S/C26H40N2/c1-5-7-17-21-26(4)28-23-19-16-14-12-10-9-11-13-15-18-22-27-24-25(3)20-8-6-2/h5-12,17,20-21,24H,13-16,18-19,22-23H2,1-4H3/b7-5-,8-6-,11-9-,12-10-,21-17-,25-20-,27-24+,28-26+
InChIKeyQLOLMDUOGRWZPU-URGOXPILSA-N
XLogP7.63
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.62
LogP ≤ 57.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (3Z,5Z)-N-[(5Z,7Z)-12-[[(2Z,4Z)-2-methylhexa-2,4-dienylidene]amino]dodeca-5,7-dienyl]hepta-3,5-dien-2-imine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-N-[(5Z,7Z)-12-[[(2Z,4Z)-2-methylhexa-2,4-dienylidene]amino]dodeca-5,7-dienyl]hepta-3,5-dien-2-imine?
The IUPAC name of (3Z,5Z)-N-[(5Z,7Z)-12-[[(2Z,4Z)-2-methylhexa-2,4-dienylidene]amino]dodeca-5,7-dienyl]hepta-3,5-dien-2-imine (CID 122582714) is (3Z,5Z)-N-[(5Z,7Z)-12-[[(2Z,4Z)-2-methylhexa-2,4-dienylidene]amino]dodeca-5,7-dienyl]hepta-3,5-dien-2-imine.
What is the SMILES notation for (3Z,5Z)-N-[(5Z,7Z)-12-[[(2Z,4Z)-2-methylhexa-2,4-dienylidene]amino]dodeca-5,7-dienyl]hepta-3,5-dien-2-imine?
The canonical SMILES for (3Z,5Z)-N-[(5Z,7Z)-12-[[(2Z,4Z)-2-methylhexa-2,4-dienylidene]amino]dodeca-5,7-dienyl]hepta-3,5-dien-2-imine is C/C=C\C=C/C(C)=N/CCCC/C=C\C=C/CCCC/N=C/C(C)=C\C=C/C.
What is the InChIKey of (3Z,5Z)-N-[(5Z,7Z)-12-[[(2Z,4Z)-2-methylhexa-2,4-dienylidene]amino]dodeca-5,7-dienyl]hepta-3,5-dien-2-imine?
The InChIKey is QLOLMDUOGRWZPU-URGOXPILSA-N. The full InChI is InChI=1S/C26H40N2/c1-5-7-17-21-26(4)28-23-19-16-14-12-10-9-11-13-15-18-22-27-24-25(3)20-8-6-2/h5-12,17,20-21,24H,13-16,18-19,22-23H2,1-4H3/b7-5-,8-6-,11-9-,12-10-,21-17-,25-20-,27-24+,28-26+.
What are the key properties of (3Z,5Z)-N-[(5Z,7Z)-12-[[(2Z,4Z)-2-methylhexa-2,4-dienylidene]amino]dodeca-5,7-dienyl]hepta-3,5-dien-2-imine?
(3Z,5Z)-N-[(5Z,7Z)-12-[[(2Z,4Z)-2-methylhexa-2,4-dienylidene]amino]dodeca-5,7-dienyl]hepta-3,5-dien-2-imine has a molecular weight of 380.62 g/mol, XLogP of 7.63, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-N-[(5Z,7Z)-12-[[(2Z,4Z)-2-methylhexa-2,4-dienylidene]amino]dodeca-5,7-dienyl]hepta-3,5-dien-2-imine is sourced from PubChem (CID 122582714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).