N-[(2E,4Z)-4-[(E)-cyclohexa-2,4-dien-1-ylidenemethyl]hepta-2,4,6-trien-3-yl]methanimine

C15H17N — CID 142875667

IUPACN-[(2E,4Z)-4-[(E)-cyclohexa-2,4-dien-1-ylidenemethyl]hepta-2,4,6-trien-3-yl]methanimine
SMILESC=C/C=C(/C=C1/C=CC=CC1)C(=C/C)\N=C
InChIInChI=1S/C15H17N/c1-4-9-14(15(5-2)16-3)12-13-10-7-6-8-11-13/h4-10,12H,1,3,11H2,2H3/b13-12-,14-9-,15-5+
InChIKeyFWJAKCSPPDLSTH-PUZIQTHCSA-N
MW211.31 g/mol
LogP4.15
Rot. Bonds4

About N-[(2E,4Z)-4-[(E)-cyclohexa-2,4-dien-1-ylidenemethyl]hepta-2,4,6-trien-3-yl]methanimine

N-[(2E,4Z)-4-[(E)-cyclohexa-2,4-dien-1-ylidenemethyl]hepta-2,4,6-trien-3-yl]methanimine (PubChem CID 142875667) has the molecular formula C15H17N and a molecular weight of 211.31 g/mol. Its IUPAC name is N-[(2E,4Z)-4-[(E)-cyclohexa-2,4-dien-1-ylidenemethyl]hepta-2,4,6-trien-3-yl]methanimine.

Molecular Properties

Compound NameN-[(2E,4Z)-4-[(E)-cyclohexa-2,4-dien-1-ylidenemethyl]hepta-2,4,6-trien-3-yl]methanimine
PubChem CID142875667
Molecular FormulaC15H17N
Molecular Weight211.31 g/mol
Exact Mass211.14
IUPAC NameN-[(2E,4Z)-4-[(E)-cyclohexa-2,4-dien-1-ylidenemethyl]hepta-2,4,6-trien-3-yl]methanimine
SMILESC=C/C=C(/C=C1/C=CC=CC1)C(=C/C)\N=C
InChIInChI=1S/C15H17N/c1-4-9-14(15(5-2)16-3)12-13-10-7-6-8-11-13/h4-10,12H,1,3,11H2,2H3/b13-12-,14-9-,15-5+
InChIKeyFWJAKCSPPDLSTH-PUZIQTHCSA-N
XLogP4.15
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 54.15
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 N-[(2E,4Z)-4-[(E)-cyclohexa-2,4-dien-1-ylidenemethyl]hepta-2,4,6-trien-3-yl]methanimine?
The IUPAC name of N-[(2E,4Z)-4-[(E)-cyclohexa-2,4-dien-1-ylidenemethyl]hepta-2,4,6-trien-3-yl]methanimine (CID 142875667) is N-[(2E,4Z)-4-[(E)-cyclohexa-2,4-dien-1-ylidenemethyl]hepta-2,4,6-trien-3-yl]methanimine.
What is the SMILES notation for N-[(2E,4Z)-4-[(E)-cyclohexa-2,4-dien-1-ylidenemethyl]hepta-2,4,6-trien-3-yl]methanimine?
The canonical SMILES for N-[(2E,4Z)-4-[(E)-cyclohexa-2,4-dien-1-ylidenemethyl]hepta-2,4,6-trien-3-yl]methanimine is C=C/C=C(/C=C1/C=CC=CC1)C(=C/C)\N=C.
What is the InChIKey of N-[(2E,4Z)-4-[(E)-cyclohexa-2,4-dien-1-ylidenemethyl]hepta-2,4,6-trien-3-yl]methanimine?
The InChIKey is FWJAKCSPPDLSTH-PUZIQTHCSA-N. The full InChI is InChI=1S/C15H17N/c1-4-9-14(15(5-2)16-3)12-13-10-7-6-8-11-13/h4-10,12H,1,3,11H2,2H3/b13-12-,14-9-,15-5+.
What are the key properties of N-[(2E,4Z)-4-[(E)-cyclohexa-2,4-dien-1-ylidenemethyl]hepta-2,4,6-trien-3-yl]methanimine?
N-[(2E,4Z)-4-[(E)-cyclohexa-2,4-dien-1-ylidenemethyl]hepta-2,4,6-trien-3-yl]methanimine has a molecular weight of 211.31 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E,4Z)-4-[(E)-cyclohexa-2,4-dien-1-ylidenemethyl]hepta-2,4,6-trien-3-yl]methanimine is sourced from PubChem (CID 142875667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).