(Z)-6-(3,5-dimethyl-8-bicyclo[5.2.0]nona-2,5-dienyl)-N,6-dimethylhept-4-en-2-imine

C20H31N — CID 123271312

IUPAC(Z)-6-(3,5-dimethyl-8-bicyclo[5.2.0]nona-2,5-dienyl)-N,6-dimethylhept-4-en-2-imine
SMILESC/N=C(\C)C/C=C\C(C)(C)C1CC2C=C(C)CC(C)=CC21
InChIInChI=1S/C20H31N/c1-14-10-15(2)12-18-17(11-14)13-19(18)20(4,5)9-7-8-16(3)21-6/h7,9,11-12,17-19H,8,10,13H2,1-6H3/b9-7-,21-16+
InChIKeyLVPSPKFSLJRWRL-QSJRZWPXSA-N
MW285.47 g/mol
LogP5.60
Rot. Bonds4

About (Z)-6-(3,5-dimethyl-8-bicyclo[5.2.0]nona-2,5-dienyl)-N,6-dimethylhept-4-en-2-imine

(Z)-6-(3,5-dimethyl-8-bicyclo[5.2.0]nona-2,5-dienyl)-N,6-dimethylhept-4-en-2-imine (PubChem CID 123271312) has the molecular formula C20H31N and a molecular weight of 285.47 g/mol. Its IUPAC name is (Z)-6-(3,5-dimethyl-8-bicyclo[5.2.0]nona-2,5-dienyl)-N,6-dimethylhept-4-en-2-imine.

Molecular Properties

Compound Name(Z)-6-(3,5-dimethyl-8-bicyclo[5.2.0]nona-2,5-dienyl)-N,6-dimethylhept-4-en-2-imine
PubChem CID123271312
Molecular FormulaC20H31N
Molecular Weight285.47 g/mol
Exact Mass285.25
IUPAC Name(Z)-6-(3,5-dimethyl-8-bicyclo[5.2.0]nona-2,5-dienyl)-N,6-dimethylhept-4-en-2-imine
SMILESC/N=C(\C)C/C=C\C(C)(C)C1CC2C=C(C)CC(C)=CC21
InChIInChI=1S/C20H31N/c1-14-10-15(2)12-18-17(11-14)13-19(18)20(4,5)9-7-8-16(3)21-6/h7,9,11-12,17-19H,8,10,13H2,1-6H3/b9-7-,21-16+
InChIKeyLVPSPKFSLJRWRL-QSJRZWPXSA-N
XLogP5.60
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.47
LogP ≤ 55.60
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'}

Analyze (Z)-6-(3,5-dimethyl-8-bicyclo[5.2.0]nona-2,5-dienyl)-N,6-dimethylhept-4-en-2-imine with MolForge

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Related Compounds

[2,2-dimethyl-3-[(E)-prop-1-enyl]cyclobutylidene]-dimethylazanium
CID 134861920
[2,2-dimethyl-3-[(Z)-prop-1-enyl]cyclobutylidene]-dimethylazanium
CID 139254724
1-(4-but-2-enyl-5-ethyl-4-methylcycloheptyl)-N-methylethanimine
CID 91040051
N-methyl-4-octan-4-ylcyclohept-2-en-1-imine
CID 123494760
1-(2-methylcyclobutyl)-N-[3-methyl-4-(3-methyl-3-propylcyclobutyl)but-3-enyl]ethanimine
CID 123769432
(1Z)-1-[3-[(1-ethylcyclobutyl)methyl]-5-methylcyclohex-3-en-1-ylidene]-N-methylhexan-2-imine
CID 129066551
(7E,12Z)-N,3,7-trimethyltetradeca-7,12-dien-2-imine
CID 130374239
1-(5-ethyl-2-methylcyclohept-4-en-1-yl)-N-methylethanimine
CID 134478495
1-[(7S)-6-butan-2-yl-3,4-dimethyl-2-bicyclo[5.2.0]nona-2,5,8-trienyl]-N-methylethanimine
CID 137439718
8-but-3-enyl-N,7,7-trimethyl-8H-benzo[7]annulen-6-imine
CID 142922304
1-[(6S)-5-but-1-en-2-yl-6-methyl-2-bicyclo[3.1.1]hept-3-enyl]-N-ethylethanimine
CID 167170093
(Z)-5-cyclobutyl-N,2,6-trimethylhept-4-en-3-imine
CID 169922486

Frequently Asked Questions

What is the IUPAC name of (Z)-6-(3,5-dimethyl-8-bicyclo[5.2.0]nona-2,5-dienyl)-N,6-dimethylhept-4-en-2-imine?
The IUPAC name of (Z)-6-(3,5-dimethyl-8-bicyclo[5.2.0]nona-2,5-dienyl)-N,6-dimethylhept-4-en-2-imine (CID 123271312) is (Z)-6-(3,5-dimethyl-8-bicyclo[5.2.0]nona-2,5-dienyl)-N,6-dimethylhept-4-en-2-imine.
What is the SMILES notation for (Z)-6-(3,5-dimethyl-8-bicyclo[5.2.0]nona-2,5-dienyl)-N,6-dimethylhept-4-en-2-imine?
The canonical SMILES for (Z)-6-(3,5-dimethyl-8-bicyclo[5.2.0]nona-2,5-dienyl)-N,6-dimethylhept-4-en-2-imine is C/N=C(\C)C/C=C\C(C)(C)C1CC2C=C(C)CC(C)=CC21.
What is the InChIKey of (Z)-6-(3,5-dimethyl-8-bicyclo[5.2.0]nona-2,5-dienyl)-N,6-dimethylhept-4-en-2-imine?
The InChIKey is LVPSPKFSLJRWRL-QSJRZWPXSA-N. The full InChI is InChI=1S/C20H31N/c1-14-10-15(2)12-18-17(11-14)13-19(18)20(4,5)9-7-8-16(3)21-6/h7,9,11-12,17-19H,8,10,13H2,1-6H3/b9-7-,21-16+.
What are the key properties of (Z)-6-(3,5-dimethyl-8-bicyclo[5.2.0]nona-2,5-dienyl)-N,6-dimethylhept-4-en-2-imine?
(Z)-6-(3,5-dimethyl-8-bicyclo[5.2.0]nona-2,5-dienyl)-N,6-dimethylhept-4-en-2-imine has a molecular weight of 285.47 g/mol, XLogP of 5.60, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-6-(3,5-dimethyl-8-bicyclo[5.2.0]nona-2,5-dienyl)-N,6-dimethylhept-4-en-2-imine is sourced from PubChem (CID 123271312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).