N-[(3Z,5Z)-5-ethylidene-6-propyldeca-1,3-dien-2-yl]-N'-[(1Z)-2-ethyl-3-methylbuta-1,3-dienyl]ethanimidamide

C24H40N2 — CID 134365026

IUPACN-[(3Z,5Z)-5-ethylidene-6-propyldeca-1,3-dien-2-yl]-N'-[(1Z)-2-ethyl-3-methylbuta-1,3-dienyl]ethanimidamide
SMILESC=C(/C=C\C(=C/C)C(CCC)CCCC)N/C(C)=N/C=C(/CC)C(=C)C
InChIInChI=1S/C24H40N2/c1-9-13-15-24(14-10-2)22(11-3)17-16-20(7)26-21(8)25-18-23(12-4)19(5)6/h11,16-18,24H,5,7,9-10,12-15H2,1-4,6,8H3,(H,25,26)/b17-16-,22-11+,23-18-
InChIKeyGBFBHCVROPUAJS-KEMZRIMQSA-N
MW356.60 g/mol
LogP7.49
Rot. Bonds12

About N-[(3Z,5Z)-5-ethylidene-6-propyldeca-1,3-dien-2-yl]-N'-[(1Z)-2-ethyl-3-methylbuta-1,3-dienyl]ethanimidamide

N-[(3Z,5Z)-5-ethylidene-6-propyldeca-1,3-dien-2-yl]-N'-[(1Z)-2-ethyl-3-methylbuta-1,3-dienyl]ethanimidamide (PubChem CID 134365026) has the molecular formula C24H40N2 and a molecular weight of 356.60 g/mol. Its IUPAC name is N-[(3Z,5Z)-5-ethylidene-6-propyldeca-1,3-dien-2-yl]-N'-[(1Z)-2-ethyl-3-methylbuta-1,3-dienyl]ethanimidamide.

Molecular Properties

Compound NameN-[(3Z,5Z)-5-ethylidene-6-propyldeca-1,3-dien-2-yl]-N'-[(1Z)-2-ethyl-3-methylbuta-1,3-dienyl]ethanimidamide
PubChem CID134365026
Molecular FormulaC24H40N2
Molecular Weight356.60 g/mol
Exact Mass356.32
IUPAC NameN-[(3Z,5Z)-5-ethylidene-6-propyldeca-1,3-dien-2-yl]-N'-[(1Z)-2-ethyl-3-methylbuta-1,3-dienyl]ethanimidamide
SMILESC=C(/C=C\C(=C/C)C(CCC)CCCC)N/C(C)=N/C=C(/CC)C(=C)C
InChIInChI=1S/C24H40N2/c1-9-13-15-24(14-10-2)22(11-3)17-16-20(7)26-21(8)25-18-23(12-4)19(5)6/h11,16-18,24H,5,7,9-10,12-15H2,1-4,6,8H3,(H,25,26)/b17-16-,22-11+,23-18-
InChIKeyGBFBHCVROPUAJS-KEMZRIMQSA-N
XLogP7.49
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.60
LogP ≤ 57.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3Z,5Z)-5-ethylidene-6-propyldeca-1,3-dien-2-yl]-N'-[(1Z)-2-ethyl-3-methylbuta-1,3-dienyl]ethanimidamide?
The IUPAC name of N-[(3Z,5Z)-5-ethylidene-6-propyldeca-1,3-dien-2-yl]-N'-[(1Z)-2-ethyl-3-methylbuta-1,3-dienyl]ethanimidamide (CID 134365026) is N-[(3Z,5Z)-5-ethylidene-6-propyldeca-1,3-dien-2-yl]-N'-[(1Z)-2-ethyl-3-methylbuta-1,3-dienyl]ethanimidamide.
What is the SMILES notation for N-[(3Z,5Z)-5-ethylidene-6-propyldeca-1,3-dien-2-yl]-N'-[(1Z)-2-ethyl-3-methylbuta-1,3-dienyl]ethanimidamide?
The canonical SMILES for N-[(3Z,5Z)-5-ethylidene-6-propyldeca-1,3-dien-2-yl]-N'-[(1Z)-2-ethyl-3-methylbuta-1,3-dienyl]ethanimidamide is C=C(/C=C\C(=C/C)C(CCC)CCCC)N/C(C)=N/C=C(/CC)C(=C)C.
What is the InChIKey of N-[(3Z,5Z)-5-ethylidene-6-propyldeca-1,3-dien-2-yl]-N'-[(1Z)-2-ethyl-3-methylbuta-1,3-dienyl]ethanimidamide?
The InChIKey is GBFBHCVROPUAJS-KEMZRIMQSA-N. The full InChI is InChI=1S/C24H40N2/c1-9-13-15-24(14-10-2)22(11-3)17-16-20(7)26-21(8)25-18-23(12-4)19(5)6/h11,16-18,24H,5,7,9-10,12-15H2,1-4,6,8H3,(H,25,26)/b17-16-,22-11+,23-18-.
What are the key properties of N-[(3Z,5Z)-5-ethylidene-6-propyldeca-1,3-dien-2-yl]-N'-[(1Z)-2-ethyl-3-methylbuta-1,3-dienyl]ethanimidamide?
N-[(3Z,5Z)-5-ethylidene-6-propyldeca-1,3-dien-2-yl]-N'-[(1Z)-2-ethyl-3-methylbuta-1,3-dienyl]ethanimidamide has a molecular weight of 356.60 g/mol, XLogP of 7.49, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z,5Z)-5-ethylidene-6-propyldeca-1,3-dien-2-yl]-N'-[(1Z)-2-ethyl-3-methylbuta-1,3-dienyl]ethanimidamide is sourced from PubChem (CID 134365026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).