1-[4-methyl-3-(2-methylcyclohexa-1,3-dien-1-yl)cyclohexen-1-yl]ethanimine

C16H23N — CID 123340594

IUPAC1-[4-methyl-3-(2-methylcyclohexa-1,3-dien-1-yl)cyclohexen-1-yl]ethanimine
SMILES[H]/N=C(\C)C1=CC(C2=C(C)C=CCC2)C(C)CC1
InChIInChI=1S/C16H23N/c1-11-6-4-5-7-15(11)16-10-14(13(3)17)9-8-12(16)2/h4,6,10,12,16-17H,5,7-9H2,1-3H3/b17-13+
InChIKeyXZHJGHVEZXZWNI-GHRIWEEISA-N
MW229.37 g/mol
LogP4.67
Rot. Bonds2

About 1-[4-methyl-3-(2-methylcyclohexa-1,3-dien-1-yl)cyclohexen-1-yl]ethanimine

1-[4-methyl-3-(2-methylcyclohexa-1,3-dien-1-yl)cyclohexen-1-yl]ethanimine (PubChem CID 123340594) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is 1-[4-methyl-3-(2-methylcyclohexa-1,3-dien-1-yl)cyclohexen-1-yl]ethanimine.

Molecular Properties

Compound Name1-[4-methyl-3-(2-methylcyclohexa-1,3-dien-1-yl)cyclohexen-1-yl]ethanimine
PubChem CID123340594
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name1-[4-methyl-3-(2-methylcyclohexa-1,3-dien-1-yl)cyclohexen-1-yl]ethanimine
SMILES[H]/N=C(\C)C1=CC(C2=C(C)C=CCC2)C(C)CC1
InChIInChI=1S/C16H23N/c1-11-6-4-5-7-15(11)16-10-14(13(3)17)9-8-12(16)2/h4,6,10,12,16-17H,5,7-9H2,1-3H3/b17-13+
InChIKeyXZHJGHVEZXZWNI-GHRIWEEISA-N
XLogP4.67
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-3-(2-methylcyclohexa-1,3-dien-1-yl)cyclohexen-1-yl]ethanimine?
The IUPAC name of 1-[4-methyl-3-(2-methylcyclohexa-1,3-dien-1-yl)cyclohexen-1-yl]ethanimine (CID 123340594) is 1-[4-methyl-3-(2-methylcyclohexa-1,3-dien-1-yl)cyclohexen-1-yl]ethanimine.
What is the SMILES notation for 1-[4-methyl-3-(2-methylcyclohexa-1,3-dien-1-yl)cyclohexen-1-yl]ethanimine?
The canonical SMILES for 1-[4-methyl-3-(2-methylcyclohexa-1,3-dien-1-yl)cyclohexen-1-yl]ethanimine is [H]/N=C(\C)C1=CC(C2=C(C)C=CCC2)C(C)CC1.
What is the InChIKey of 1-[4-methyl-3-(2-methylcyclohexa-1,3-dien-1-yl)cyclohexen-1-yl]ethanimine?
The InChIKey is XZHJGHVEZXZWNI-GHRIWEEISA-N. The full InChI is InChI=1S/C16H23N/c1-11-6-4-5-7-15(11)16-10-14(13(3)17)9-8-12(16)2/h4,6,10,12,16-17H,5,7-9H2,1-3H3/b17-13+.
What are the key properties of 1-[4-methyl-3-(2-methylcyclohexa-1,3-dien-1-yl)cyclohexen-1-yl]ethanimine?
1-[4-methyl-3-(2-methylcyclohexa-1,3-dien-1-yl)cyclohexen-1-yl]ethanimine has a molecular weight of 229.37 g/mol, XLogP of 4.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-3-(2-methylcyclohexa-1,3-dien-1-yl)cyclohexen-1-yl]ethanimine is sourced from PubChem (CID 123340594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).