2-(3,5-dimethylcyclohex-3-en-1-yl)ethanimine

C10H17N — CID 89244763

IUPAC2-(3,5-dimethylcyclohex-3-en-1-yl)ethanimine
SMILES[H]/N=C/CC1CC(C)=CC(C)C1
InChIInChI=1S/C10H17N/c1-8-5-9(2)7-10(6-8)3-4-11/h4-5,8,10-11H,3,6-7H2,1-2H3/b11-4+
InChIKeyPQQNCIKNKJXQKK-NYYWCZLTSA-N
MW151.25 g/mol
LogP3.02
Rot. Bonds2

About 2-(3,5-dimethylcyclohex-3-en-1-yl)ethanimine

2-(3,5-dimethylcyclohex-3-en-1-yl)ethanimine (PubChem CID 89244763) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 2-(3,5-dimethylcyclohex-3-en-1-yl)ethanimine.

Molecular Properties

Compound Name2-(3,5-dimethylcyclohex-3-en-1-yl)ethanimine
PubChem CID89244763
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name2-(3,5-dimethylcyclohex-3-en-1-yl)ethanimine
SMILES[H]/N=C/CC1CC(C)=CC(C)C1
InChIInChI=1S/C10H17N/c1-8-5-9(2)7-10(6-8)3-4-11/h4-5,8,10-11H,3,6-7H2,1-2H3/b11-4+
InChIKeyPQQNCIKNKJXQKK-NYYWCZLTSA-N
XLogP3.02
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 53.02
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylcyclohex-3-en-1-yl)ethanimine?
The IUPAC name of 2-(3,5-dimethylcyclohex-3-en-1-yl)ethanimine (CID 89244763) is 2-(3,5-dimethylcyclohex-3-en-1-yl)ethanimine.
What is the SMILES notation for 2-(3,5-dimethylcyclohex-3-en-1-yl)ethanimine?
The canonical SMILES for 2-(3,5-dimethylcyclohex-3-en-1-yl)ethanimine is [H]/N=C/CC1CC(C)=CC(C)C1.
What is the InChIKey of 2-(3,5-dimethylcyclohex-3-en-1-yl)ethanimine?
The InChIKey is PQQNCIKNKJXQKK-NYYWCZLTSA-N. The full InChI is InChI=1S/C10H17N/c1-8-5-9(2)7-10(6-8)3-4-11/h4-5,8,10-11H,3,6-7H2,1-2H3/b11-4+.
What are the key properties of 2-(3,5-dimethylcyclohex-3-en-1-yl)ethanimine?
2-(3,5-dimethylcyclohex-3-en-1-yl)ethanimine has a molecular weight of 151.25 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylcyclohex-3-en-1-yl)ethanimine is sourced from PubChem (CID 89244763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).