[1,4,8-trimethyl-6-(1-methyl-2-propylcycloprop-2-en-1-yl)-2-bicyclo[7.1.0]dec-8-enyl]methanimine

C21H33N — CID 123245329

IUPAC[1,4,8-trimethyl-6-(1-methyl-2-propylcycloprop-2-en-1-yl)-2-bicyclo[7.1.0]dec-8-enyl]methanimine
SMILES[H]/N=C/C1CC(C)CC(C2(C)C=C2CCC)CC(C)=C2CC21C
InChIInChI=1S/C21H33N/c1-6-7-16-11-20(16,4)17-8-14(2)9-18(13-22)21(5)12-19(21)15(3)10-17/h11,13-14,17-18,22H,6-10,12H2,1-5H3/b19-15?,22-13+
InChIKeyWLZNNDSHAXXIBP-YYGQCMGPSA-N
MW299.50 g/mol
LogP6.16
Rot. Bonds4

About [1,4,8-trimethyl-6-(1-methyl-2-propylcycloprop-2-en-1-yl)-2-bicyclo[7.1.0]dec-8-enyl]methanimine

[1,4,8-trimethyl-6-(1-methyl-2-propylcycloprop-2-en-1-yl)-2-bicyclo[7.1.0]dec-8-enyl]methanimine (PubChem CID 123245329) has the molecular formula C21H33N and a molecular weight of 299.50 g/mol. Its IUPAC name is [1,4,8-trimethyl-6-(1-methyl-2-propylcycloprop-2-en-1-yl)-2-bicyclo[7.1.0]dec-8-enyl]methanimine.

Molecular Properties

Compound Name[1,4,8-trimethyl-6-(1-methyl-2-propylcycloprop-2-en-1-yl)-2-bicyclo[7.1.0]dec-8-enyl]methanimine
PubChem CID123245329
Molecular FormulaC21H33N
Molecular Weight299.50 g/mol
Exact Mass299.26
IUPAC Name[1,4,8-trimethyl-6-(1-methyl-2-propylcycloprop-2-en-1-yl)-2-bicyclo[7.1.0]dec-8-enyl]methanimine
SMILES[H]/N=C/C1CC(C)CC(C2(C)C=C2CCC)CC(C)=C2CC21C
InChIInChI=1S/C21H33N/c1-6-7-16-11-20(16,4)17-8-14(2)9-18(13-22)21(5)12-19(21)15(3)10-17/h11,13-14,17-18,22H,6-10,12H2,1-5H3/b19-15?,22-13+
InChIKeyWLZNNDSHAXXIBP-YYGQCMGPSA-N
XLogP6.16
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.50
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [1,4,8-trimethyl-6-(1-methyl-2-propylcycloprop-2-en-1-yl)-2-bicyclo[7.1.0]dec-8-enyl]methanimine with MolForge

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Launch Full Analysis

Related Compounds

(Z)-3-methyl-5-(1,2,2-trimethylcyclopropyl)pent-2-en-1-imine
CID 89392874
N-ethyl-2-[(2-propylcyclopropylidene)methyl]-3-(1,2,5-trimethylcyclooctyl)propan-1-imine
CID 91085247
7-[5-Ethyl-2,5,8-trimethyl-3-[1-(1,4,7-trimethyl-5-bicyclo[7.1.0]decanyl)spiro[2.2]pentan-2-yl]cyclooctyl]-9,12,14-trimethylnonadec-16-en-1-imine
CID 91165905
[4-[2-(2-Ethylbutyl)-1-methylcyclopropyl]cyclohexa-1,3-dien-1-yl]methanimine
CID 91300856
(E)-4-ethyl-6-(2,6,6-trimethylcyclohex-2-en-1-yl)hex-3-en-1-imine
CID 117943408
2-(2-Cyclopropylcycloprop-2-en-1-yl)butan-1-imine
CID 121480682
(E)-3,7-dimethyl-9-(2,2,6-trimethylcyclohexyl)non-6-en-1-imine
CID 141781640
(Z,8S)-8-ethyl-2,2,6-trimethyl-5-methylidenetridec-9-en-1-imine
CID 156394916
(E)-5-[1,2-dimethyl-2-(2,2,3,3-tetramethylbutyl)cyclobutyl]-4-methylpent-3-en-1-imine
CID 162434682
[2-[(Z)-9-(2-ethylcyclopropyl)non-4-en-2-yl]cyclopropyl]methanimine
CID 163543855
(5R)-2-ethenyl-5-ethyl-3,3,6-trimethyl-4-propan-2-ylideneheptan-1-imine
CID 169922010
3-[(1E,6Z)-6-butan-2-yl-4-ethyl-2,3,9-trimethylcyclonona-1,6-dien-1-yl]-2-methylbutan-1-imine
CID 170402703

Frequently Asked Questions

What is the IUPAC name of [1,4,8-trimethyl-6-(1-methyl-2-propylcycloprop-2-en-1-yl)-2-bicyclo[7.1.0]dec-8-enyl]methanimine?
The IUPAC name of [1,4,8-trimethyl-6-(1-methyl-2-propylcycloprop-2-en-1-yl)-2-bicyclo[7.1.0]dec-8-enyl]methanimine (CID 123245329) is [1,4,8-trimethyl-6-(1-methyl-2-propylcycloprop-2-en-1-yl)-2-bicyclo[7.1.0]dec-8-enyl]methanimine.
What is the SMILES notation for [1,4,8-trimethyl-6-(1-methyl-2-propylcycloprop-2-en-1-yl)-2-bicyclo[7.1.0]dec-8-enyl]methanimine?
The canonical SMILES for [1,4,8-trimethyl-6-(1-methyl-2-propylcycloprop-2-en-1-yl)-2-bicyclo[7.1.0]dec-8-enyl]methanimine is [H]/N=C/C1CC(C)CC(C2(C)C=C2CCC)CC(C)=C2CC21C.
What is the InChIKey of [1,4,8-trimethyl-6-(1-methyl-2-propylcycloprop-2-en-1-yl)-2-bicyclo[7.1.0]dec-8-enyl]methanimine?
The InChIKey is WLZNNDSHAXXIBP-YYGQCMGPSA-N. The full InChI is InChI=1S/C21H33N/c1-6-7-16-11-20(16,4)17-8-14(2)9-18(13-22)21(5)12-19(21)15(3)10-17/h11,13-14,17-18,22H,6-10,12H2,1-5H3/b19-15?,22-13+.
What are the key properties of [1,4,8-trimethyl-6-(1-methyl-2-propylcycloprop-2-en-1-yl)-2-bicyclo[7.1.0]dec-8-enyl]methanimine?
[1,4,8-trimethyl-6-(1-methyl-2-propylcycloprop-2-en-1-yl)-2-bicyclo[7.1.0]dec-8-enyl]methanimine has a molecular weight of 299.50 g/mol, XLogP of 6.16, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1,4,8-trimethyl-6-(1-methyl-2-propylcycloprop-2-en-1-yl)-2-bicyclo[7.1.0]dec-8-enyl]methanimine is sourced from PubChem (CID 123245329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).