N-[(1E,3Z)-2-(6-methyl-3-bicyclo[3.1.0]hex-2-enyl)penta-1,3-dienyl]methanimine

C13H17N — CID 142421851

IUPACN-[(1E,3Z)-2-(6-methyl-3-bicyclo[3.1.0]hex-2-enyl)penta-1,3-dienyl]methanimine
SMILESC=N/C=C(\C=C/C)C1=CC2C(C)C2C1
InChIInChI=1S/C13H17N/c1-4-5-10(8-14-3)11-6-12-9(2)13(12)7-11/h4-6,8-9,12-13H,3,7H2,1-2H3/b5-4-,10-8+
InChIKeyWGCGPRPLEPWHLG-BTCMVDHLSA-N
MW187.29 g/mol
LogP3.36
Rot. Bonds3

About N-[(1E,3Z)-2-(6-methyl-3-bicyclo[3.1.0]hex-2-enyl)penta-1,3-dienyl]methanimine

N-[(1E,3Z)-2-(6-methyl-3-bicyclo[3.1.0]hex-2-enyl)penta-1,3-dienyl]methanimine (PubChem CID 142421851) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is N-[(1E,3Z)-2-(6-methyl-3-bicyclo[3.1.0]hex-2-enyl)penta-1,3-dienyl]methanimine.

Molecular Properties

Compound NameN-[(1E,3Z)-2-(6-methyl-3-bicyclo[3.1.0]hex-2-enyl)penta-1,3-dienyl]methanimine
PubChem CID142421851
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC NameN-[(1E,3Z)-2-(6-methyl-3-bicyclo[3.1.0]hex-2-enyl)penta-1,3-dienyl]methanimine
SMILESC=N/C=C(\C=C/C)C1=CC2C(C)C2C1
InChIInChI=1S/C13H17N/c1-4-5-10(8-14-3)11-6-12-9(2)13(12)7-11/h4-6,8-9,12-13H,3,7H2,1-2H3/b5-4-,10-8+
InChIKeyWGCGPRPLEPWHLG-BTCMVDHLSA-N
XLogP3.36
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 53.36
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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Related Compounds

N-[2-[1-(2-prop-1-enylcyclopropyl)propan-2-yl]pent-1-enyl]methanimine
CID 91209535
N-(2,4-dimethyl-6-propyldeca-1,3-dienyl)methanimine
CID 123818973
N-[2-(2-methylpropyl)-3-propylhexa-1,3-dienyl]methanimine
CID 123838975
N-[(Z,3Z)-4-hexyl-3-propylidenedec-1-enyl]methanimine
CID 134213997
N-[(1Z,3E)-5-cyclohexa-1,3-dien-1-yl-4-ethyl-6,6-dimethylhepta-1,3-dienyl]methanimine
CID 137467591
N-[(Z)-3-(4-methylcyclohexylidene)prop-1-enyl]methanimine
CID 139523962
N-[(1Z,3Z,6R,8S)-8-methyl-6-propyldeca-1,3-dienyl]methanimine
CID 141953607
N-[(Z)-2-[(Z)-prop-1-enyl]-3-propylhex-1-enyl]methanimine
CID 144118306
N-[(1Z,3E)-2,7-dimethyl-4-(1-propylcyclopropyl)octa-1,3-dienyl]methanimine
CID 146364641
N-[(1E)-4-methyl-2-(2-methylcyclopentyl)penta-1,3-dienyl]methanimine
CID 156349329
N-[(1E,3E)-2-cyclopentyl-4-methylhepta-1,3-dienyl]methanimine
CID 156349334
N-[(1E,3Z)-2-cyclopentyl-4-methylhexa-1,3,5-trienyl]methanimine
CID 156349338

Frequently Asked Questions

What is the IUPAC name of N-[(1E,3Z)-2-(6-methyl-3-bicyclo[3.1.0]hex-2-enyl)penta-1,3-dienyl]methanimine?
The IUPAC name of N-[(1E,3Z)-2-(6-methyl-3-bicyclo[3.1.0]hex-2-enyl)penta-1,3-dienyl]methanimine (CID 142421851) is N-[(1E,3Z)-2-(6-methyl-3-bicyclo[3.1.0]hex-2-enyl)penta-1,3-dienyl]methanimine.
What is the SMILES notation for N-[(1E,3Z)-2-(6-methyl-3-bicyclo[3.1.0]hex-2-enyl)penta-1,3-dienyl]methanimine?
The canonical SMILES for N-[(1E,3Z)-2-(6-methyl-3-bicyclo[3.1.0]hex-2-enyl)penta-1,3-dienyl]methanimine is C=N/C=C(\C=C/C)C1=CC2C(C)C2C1.
What is the InChIKey of N-[(1E,3Z)-2-(6-methyl-3-bicyclo[3.1.0]hex-2-enyl)penta-1,3-dienyl]methanimine?
The InChIKey is WGCGPRPLEPWHLG-BTCMVDHLSA-N. The full InChI is InChI=1S/C13H17N/c1-4-5-10(8-14-3)11-6-12-9(2)13(12)7-11/h4-6,8-9,12-13H,3,7H2,1-2H3/b5-4-,10-8+.
What are the key properties of N-[(1E,3Z)-2-(6-methyl-3-bicyclo[3.1.0]hex-2-enyl)penta-1,3-dienyl]methanimine?
N-[(1E,3Z)-2-(6-methyl-3-bicyclo[3.1.0]hex-2-enyl)penta-1,3-dienyl]methanimine has a molecular weight of 187.29 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E,3Z)-2-(6-methyl-3-bicyclo[3.1.0]hex-2-enyl)penta-1,3-dienyl]methanimine is sourced from PubChem (CID 142421851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).