(3E)-5-methyl-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-imine

C16H23N — CID 126661659

IUPAC(3E)-5-methyl-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-imine
SMILESC=C(C)/C=C(\C=C/C)C(/C)=N/C(=C\C)C(=C)C
InChIInChI=1S/C16H23N/c1-8-10-15(11-12(3)4)14(7)17-16(9-2)13(5)6/h8-11H,3,5H2,1-2,4,6-7H3/b10-8-,15-11+,16-9-,17-14+
InChIKeyIOSKBHJMWJFUNU-FCHIFONCSA-N
MW229.37 g/mol
LogP5.01
Rot. Bonds5

About (3E)-5-methyl-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-imine

(3E)-5-methyl-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-imine (PubChem CID 126661659) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is (3E)-5-methyl-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-imine.

Molecular Properties

Compound Name(3E)-5-methyl-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-imine
PubChem CID126661659
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name(3E)-5-methyl-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-imine
SMILESC=C(C)/C=C(\C=C/C)C(/C)=N/C(=C\C)C(=C)C
InChIInChI=1S/C16H23N/c1-8-10-15(11-12(3)4)14(7)17-16(9-2)13(5)6/h8-11H,3,5H2,1-2,4,6-7H3/b10-8-,15-11+,16-9-,17-14+
InChIKeyIOSKBHJMWJFUNU-FCHIFONCSA-N
XLogP5.01
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500229.37
LogP ≤ 55.01
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 (3E)-5-methyl-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-imine?
The IUPAC name of (3E)-5-methyl-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-imine (CID 126661659) is (3E)-5-methyl-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-imine.
What is the SMILES notation for (3E)-5-methyl-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-imine?
The canonical SMILES for (3E)-5-methyl-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-imine is C=C(C)/C=C(\C=C/C)C(/C)=N/C(=C\C)C(=C)C.
What is the InChIKey of (3E)-5-methyl-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-imine?
The InChIKey is IOSKBHJMWJFUNU-FCHIFONCSA-N. The full InChI is InChI=1S/C16H23N/c1-8-10-15(11-12(3)4)14(7)17-16(9-2)13(5)6/h8-11H,3,5H2,1-2,4,6-7H3/b10-8-,15-11+,16-9-,17-14+.
What are the key properties of (3E)-5-methyl-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-imine?
(3E)-5-methyl-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-imine has a molecular weight of 229.37 g/mol, XLogP of 5.01, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-5-methyl-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-imine is sourced from PubChem (CID 126661659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).