3,5-dimethylcyclohept-2-en-1-imine

C9H15N — CID 90778792

IUPAC3,5-dimethylcyclohept-2-en-1-imine
SMILES[H]/N=C1/C=C(C)CC(C)CC1
InChIInChI=1S/C9H15N/c1-7-3-4-9(10)6-8(2)5-7/h6-7,10H,3-5H2,1-2H3/b10-9+
InChIKeyYXRZMPJFEBSYBR-MDZDMXLPSA-N
MW137.23 g/mol
LogP2.77
Rot. Bonds

About 3,5-dimethylcyclohept-2-en-1-imine

3,5-dimethylcyclohept-2-en-1-imine (PubChem CID 90778792) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 3,5-dimethylcyclohept-2-en-1-imine.

Molecular Properties

Compound Name3,5-dimethylcyclohept-2-en-1-imine
PubChem CID90778792
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name3,5-dimethylcyclohept-2-en-1-imine
SMILES[H]/N=C1/C=C(C)CC(C)CC1
InChIInChI=1S/C9H15N/c1-7-3-4-9(10)6-8(2)5-7/h6-7,10H,3-5H2,1-2H3/b10-9+
InChIKeyYXRZMPJFEBSYBR-MDZDMXLPSA-N
XLogP2.77
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3,5-dimethylcyclohept-2-en-1-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Ethylidene-6-fluoro-6-methyl-5-prop-1-en-2-yloctan-2-imine
CID 91340707
9-Fluoro-5,7-dimethyldodeca-7,9-dien-4-imine
CID 123799788
1-Cyclohexyl-imino-2-butene
CID 129765474
3,5,5-Trimethyl-2-cyclohexen-1-imine
CID 12562470
3,5-Dimethylcyclohex-2-en-1-imine
CID 12562472
2-Ethyl-4-methylcyclohex-2-en-1-imine
CID 57087859
2-Butan-2-ylcyclohexa-2,5-diene-1,4-diimine
CID 69931975
2-(2-Methylpropyl)cyclohexa-2,5-diene-1,4-diimine
CID 69932960
2-Heptan-2-ylcyclohexa-2,5-diene-1,4-diimine
CID 69973378
(6Z)-2-ethyl-6-[(Z)-2-ethylbut-2-enylidene]cyclohexan-1-imine
CID 87690054
4-(2-Ethylbut-1-enyl)cyclohexan-1-imine
CID 89040033
4-[(Z)-but-2-enyl]cyclohexan-1-imine
CID 89040034

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethylcyclohept-2-en-1-imine?
The IUPAC name of 3,5-dimethylcyclohept-2-en-1-imine (CID 90778792) is 3,5-dimethylcyclohept-2-en-1-imine.
What is the SMILES notation for 3,5-dimethylcyclohept-2-en-1-imine?
The canonical SMILES for 3,5-dimethylcyclohept-2-en-1-imine is [H]/N=C1/C=C(C)CC(C)CC1.
What is the InChIKey of 3,5-dimethylcyclohept-2-en-1-imine?
The InChIKey is YXRZMPJFEBSYBR-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H15N/c1-7-3-4-9(10)6-8(2)5-7/h6-7,10H,3-5H2,1-2H3/b10-9+.
What are the key properties of 3,5-dimethylcyclohept-2-en-1-imine?
3,5-dimethylcyclohept-2-en-1-imine has a molecular weight of 137.23 g/mol, XLogP of 2.77, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethylcyclohept-2-en-1-imine is sourced from PubChem (CID 90778792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).