N-(4-methylcyclohexa-2,4-dien-1-yl)-1-(2-prop-2-enylphenyl)methanimine

C17H19N — CID 123511785

IUPACN-(4-methylcyclohexa-2,4-dien-1-yl)-1-(2-prop-2-enylphenyl)methanimine
SMILESC=CCc1ccccc1/C=N/C1C=CC(C)=CC1
InChIInChI=1S/C17H19N/c1-3-6-15-7-4-5-8-16(15)13-18-17-11-9-14(2)10-12-17/h3-5,7-11,13,17H,1,6,12H2,2H3/b18-13+
InChIKeyYMWLEUHPTLXDHT-QGOAFFKASA-N
MW237.35 g/mol
LogP4.11
Rot. Bonds4

About N-(4-methylcyclohexa-2,4-dien-1-yl)-1-(2-prop-2-enylphenyl)methanimine

N-(4-methylcyclohexa-2,4-dien-1-yl)-1-(2-prop-2-enylphenyl)methanimine (PubChem CID 123511785) has the molecular formula C17H19N and a molecular weight of 237.35 g/mol. Its IUPAC name is N-(4-methylcyclohexa-2,4-dien-1-yl)-1-(2-prop-2-enylphenyl)methanimine.

Molecular Properties

Compound NameN-(4-methylcyclohexa-2,4-dien-1-yl)-1-(2-prop-2-enylphenyl)methanimine
PubChem CID123511785
Molecular FormulaC17H19N
Molecular Weight237.35 g/mol
Exact Mass237.15
IUPAC NameN-(4-methylcyclohexa-2,4-dien-1-yl)-1-(2-prop-2-enylphenyl)methanimine
SMILESC=CCc1ccccc1/C=N/C1C=CC(C)=CC1
InChIInChI=1S/C17H19N/c1-3-6-15-7-4-5-8-16(15)13-18-17-11-9-14(2)10-12-17/h3-5,7-11,13,17H,1,6,12H2,2H3/b18-13+
InChIKeyYMWLEUHPTLXDHT-QGOAFFKASA-N
XLogP4.11
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylcyclohexa-2,4-dien-1-yl)-1-(2-prop-2-enylphenyl)methanimine?
The IUPAC name of N-(4-methylcyclohexa-2,4-dien-1-yl)-1-(2-prop-2-enylphenyl)methanimine (CID 123511785) is N-(4-methylcyclohexa-2,4-dien-1-yl)-1-(2-prop-2-enylphenyl)methanimine.
What is the SMILES notation for N-(4-methylcyclohexa-2,4-dien-1-yl)-1-(2-prop-2-enylphenyl)methanimine?
The canonical SMILES for N-(4-methylcyclohexa-2,4-dien-1-yl)-1-(2-prop-2-enylphenyl)methanimine is C=CCc1ccccc1/C=N/C1C=CC(C)=CC1.
What is the InChIKey of N-(4-methylcyclohexa-2,4-dien-1-yl)-1-(2-prop-2-enylphenyl)methanimine?
The InChIKey is YMWLEUHPTLXDHT-QGOAFFKASA-N. The full InChI is InChI=1S/C17H19N/c1-3-6-15-7-4-5-8-16(15)13-18-17-11-9-14(2)10-12-17/h3-5,7-11,13,17H,1,6,12H2,2H3/b18-13+.
What are the key properties of N-(4-methylcyclohexa-2,4-dien-1-yl)-1-(2-prop-2-enylphenyl)methanimine?
N-(4-methylcyclohexa-2,4-dien-1-yl)-1-(2-prop-2-enylphenyl)methanimine has a molecular weight of 237.35 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcyclohexa-2,4-dien-1-yl)-1-(2-prop-2-enylphenyl)methanimine is sourced from PubChem (CID 123511785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).