2,4-dimethyl-N-[(2Z,4Z)-3-(prop-1-en-2-yliminomethyl)hepta-2,4-dien-4-yl]dec-1-en-3-imine

C23H38N2 — CID 126660744

IUPAC2,4-dimethyl-N-[(2Z,4Z)-3-(prop-1-en-2-yliminomethyl)hepta-2,4-dien-4-yl]dec-1-en-3-imine
SMILESC=C(C)/N=C/C(=C\C)C(=C/CC)/N=C(\C(=C)C)C(C)CCCCCC
InChIInChI=1S/C23H38N2/c1-9-12-13-14-16-20(8)23(18(4)5)25-22(15-10-2)21(11-3)17-24-19(6)7/h11,15,17,20H,4,6,9-10,12-14,16H2,1-3,5,7-8H3/b21-11+,22-15-,24-17+,25-23+
InChIKeyCVVNFXCITQSUEV-JWKFESQTSA-N
MW342.57 g/mol
LogP7.45
Rot. Bonds12

About 2,4-dimethyl-N-[(2Z,4Z)-3-(prop-1-en-2-yliminomethyl)hepta-2,4-dien-4-yl]dec-1-en-3-imine

2,4-dimethyl-N-[(2Z,4Z)-3-(prop-1-en-2-yliminomethyl)hepta-2,4-dien-4-yl]dec-1-en-3-imine (PubChem CID 126660744) has the molecular formula C23H38N2 and a molecular weight of 342.57 g/mol. Its IUPAC name is 2,4-dimethyl-N-[(2Z,4Z)-3-(prop-1-en-2-yliminomethyl)hepta-2,4-dien-4-yl]dec-1-en-3-imine.

Molecular Properties

Compound Name2,4-dimethyl-N-[(2Z,4Z)-3-(prop-1-en-2-yliminomethyl)hepta-2,4-dien-4-yl]dec-1-en-3-imine
PubChem CID126660744
Molecular FormulaC23H38N2
Molecular Weight342.57 g/mol
Exact Mass342.30
IUPAC Name2,4-dimethyl-N-[(2Z,4Z)-3-(prop-1-en-2-yliminomethyl)hepta-2,4-dien-4-yl]dec-1-en-3-imine
SMILESC=C(C)/N=C/C(=C\C)C(=C/CC)/N=C(\C(=C)C)C(C)CCCCCC
InChIInChI=1S/C23H38N2/c1-9-12-13-14-16-20(8)23(18(4)5)25-22(15-10-2)21(11-3)17-24-19(6)7/h11,15,17,20H,4,6,9-10,12-14,16H2,1-3,5,7-8H3/b21-11+,22-15-,24-17+,25-23+
InChIKeyCVVNFXCITQSUEV-JWKFESQTSA-N
XLogP7.45
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.57
LogP ≤ 57.45
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'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[(2Z,4Z)-3-(prop-1-en-2-yliminomethyl)hepta-2,4-dien-4-yl]dec-1-en-3-imine?
The IUPAC name of 2,4-dimethyl-N-[(2Z,4Z)-3-(prop-1-en-2-yliminomethyl)hepta-2,4-dien-4-yl]dec-1-en-3-imine (CID 126660744) is 2,4-dimethyl-N-[(2Z,4Z)-3-(prop-1-en-2-yliminomethyl)hepta-2,4-dien-4-yl]dec-1-en-3-imine.
What is the SMILES notation for 2,4-dimethyl-N-[(2Z,4Z)-3-(prop-1-en-2-yliminomethyl)hepta-2,4-dien-4-yl]dec-1-en-3-imine?
The canonical SMILES for 2,4-dimethyl-N-[(2Z,4Z)-3-(prop-1-en-2-yliminomethyl)hepta-2,4-dien-4-yl]dec-1-en-3-imine is C=C(C)/N=C/C(=C\C)C(=C/CC)/N=C(\C(=C)C)C(C)CCCCCC.
What is the InChIKey of 2,4-dimethyl-N-[(2Z,4Z)-3-(prop-1-en-2-yliminomethyl)hepta-2,4-dien-4-yl]dec-1-en-3-imine?
The InChIKey is CVVNFXCITQSUEV-JWKFESQTSA-N. The full InChI is InChI=1S/C23H38N2/c1-9-12-13-14-16-20(8)23(18(4)5)25-22(15-10-2)21(11-3)17-24-19(6)7/h11,15,17,20H,4,6,9-10,12-14,16H2,1-3,5,7-8H3/b21-11+,22-15-,24-17+,25-23+.
What are the key properties of 2,4-dimethyl-N-[(2Z,4Z)-3-(prop-1-en-2-yliminomethyl)hepta-2,4-dien-4-yl]dec-1-en-3-imine?
2,4-dimethyl-N-[(2Z,4Z)-3-(prop-1-en-2-yliminomethyl)hepta-2,4-dien-4-yl]dec-1-en-3-imine has a molecular weight of 342.57 g/mol, XLogP of 7.45, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[(2Z,4Z)-3-(prop-1-en-2-yliminomethyl)hepta-2,4-dien-4-yl]dec-1-en-3-imine is sourced from PubChem (CID 126660744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).