(2Z,3E)-2-ethylidene-N-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-imine;1-methyl-4-[(Z)-pent-2-en-2-yl]benzene

C24H33N — CID 142085794

IUPAC(2Z,3E)-2-ethylidene-N-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-imine;1-methyl-4-[(Z)-pent-2-en-2-yl]benzene
SMILESC=C/C=C(\C=C/C)C(=C/C)/C=N/C.CC/C=C(/C)c1ccc(C)cc1
InChIInChI=1S/C12H17N.C12H16/c1-5-8-12(9-6-2)11(7-3)10-13-4;1-4-5-11(3)12-8-6-10(2)7-9-12/h5-10H,1H2,2-4H3;5-9H,4H2,1-3H3/b9-6-,11-7+,12-8+,13-10+;11-5-
InChIKeyDJPIGNSUNAJSIM-BOLCUVIDSA-N
MW335.54 g/mol
LogP7.13
Rot. Bonds6

About (2Z,3E)-2-ethylidene-N-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-imine;1-methyl-4-[(Z)-pent-2-en-2-yl]benzene

(2Z,3E)-2-ethylidene-N-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-imine;1-methyl-4-[(Z)-pent-2-en-2-yl]benzene (PubChem CID 142085794) has the molecular formula C24H33N and a molecular weight of 335.54 g/mol. Its IUPAC name is (2Z,3E)-2-ethylidene-N-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-imine;1-methyl-4-[(Z)-pent-2-en-2-yl]benzene.

Molecular Properties

Compound Name(2Z,3E)-2-ethylidene-N-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-imine;1-methyl-4-[(Z)-pent-2-en-2-yl]benzene
PubChem CID142085794
Molecular FormulaC24H33N
Molecular Weight335.54 g/mol
Exact Mass335.26
IUPAC Name(2Z,3E)-2-ethylidene-N-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-imine;1-methyl-4-[(Z)-pent-2-en-2-yl]benzene
SMILESC=C/C=C(\C=C/C)C(=C/C)/C=N/C.CC/C=C(/C)c1ccc(C)cc1
InChIInChI=1S/C12H17N.C12H16/c1-5-8-12(9-6-2)11(7-3)10-13-4;1-4-5-11(3)12-8-6-10(2)7-9-12/h5-10H,1H2,2-4H3;5-9H,4H2,1-3H3/b9-6-,11-7+,12-8+,13-10+;11-5-
InChIKeyDJPIGNSUNAJSIM-BOLCUVIDSA-N
XLogP7.13
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.54
LogP ≤ 57.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 (2Z,3E)-2-ethylidene-N-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-imine;1-methyl-4-[(Z)-pent-2-en-2-yl]benzene?
The IUPAC name of (2Z,3E)-2-ethylidene-N-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-imine;1-methyl-4-[(Z)-pent-2-en-2-yl]benzene (CID 142085794) is (2Z,3E)-2-ethylidene-N-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-imine;1-methyl-4-[(Z)-pent-2-en-2-yl]benzene.
What is the SMILES notation for (2Z,3E)-2-ethylidene-N-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-imine;1-methyl-4-[(Z)-pent-2-en-2-yl]benzene?
The canonical SMILES for (2Z,3E)-2-ethylidene-N-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-imine;1-methyl-4-[(Z)-pent-2-en-2-yl]benzene is C=C/C=C(\C=C/C)C(=C/C)/C=N/C.CC/C=C(/C)c1ccc(C)cc1.
What is the InChIKey of (2Z,3E)-2-ethylidene-N-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-imine;1-methyl-4-[(Z)-pent-2-en-2-yl]benzene?
The InChIKey is DJPIGNSUNAJSIM-BOLCUVIDSA-N. The full InChI is InChI=1S/C12H17N.C12H16/c1-5-8-12(9-6-2)11(7-3)10-13-4;1-4-5-11(3)12-8-6-10(2)7-9-12/h5-10H,1H2,2-4H3;5-9H,4H2,1-3H3/b9-6-,11-7+,12-8+,13-10+;11-5-.
What are the key properties of (2Z,3E)-2-ethylidene-N-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-imine;1-methyl-4-[(Z)-pent-2-en-2-yl]benzene?
(2Z,3E)-2-ethylidene-N-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-imine;1-methyl-4-[(Z)-pent-2-en-2-yl]benzene has a molecular weight of 335.54 g/mol, XLogP of 7.13, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,3E)-2-ethylidene-N-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-imine;1-methyl-4-[(Z)-pent-2-en-2-yl]benzene is sourced from PubChem (CID 142085794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).