2-(3,5-dimethylcyclohex-3-en-1-yl)propan-1-imine

C11H19N — CID 89246740

IUPAC2-(3,5-dimethylcyclohex-3-en-1-yl)propan-1-imine
SMILES[H]/N=C/C(C)C1CC(C)=CC(C)C1
InChIInChI=1S/C11H19N/c1-8-4-9(2)6-11(5-8)10(3)7-12/h4,7-8,10-12H,5-6H2,1-3H3/b12-7+
InChIKeyDULHICARKKRKBE-KPKJPENVSA-N
MW165.28 g/mol
LogP3.26
Rot. Bonds2

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

2-(3,5-dimethylcyclohex-3-en-1-yl)propan-1-imine (PubChem CID 89246740) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 2-(3,5-dimethylcyclohex-3-en-1-yl)propan-1-imine.

Molecular Properties

Compound Name2-(3,5-dimethylcyclohex-3-en-1-yl)propan-1-imine
PubChem CID89246740
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name2-(3,5-dimethylcyclohex-3-en-1-yl)propan-1-imine
SMILES[H]/N=C/C(C)C1CC(C)=CC(C)C1
InChIInChI=1S/C11H19N/c1-8-4-9(2)6-11(5-8)10(3)7-12/h4,7-8,10-12H,5-6H2,1-3H3/b12-7+
InChIKeyDULHICARKKRKBE-KPKJPENVSA-N
XLogP3.26
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.26
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)propan-1-imine?
The IUPAC name of 2-(3,5-dimethylcyclohex-3-en-1-yl)propan-1-imine (CID 89246740) is 2-(3,5-dimethylcyclohex-3-en-1-yl)propan-1-imine.
What is the SMILES notation for 2-(3,5-dimethylcyclohex-3-en-1-yl)propan-1-imine?
The canonical SMILES for 2-(3,5-dimethylcyclohex-3-en-1-yl)propan-1-imine is [H]/N=C/C(C)C1CC(C)=CC(C)C1.
What is the InChIKey of 2-(3,5-dimethylcyclohex-3-en-1-yl)propan-1-imine?
The InChIKey is DULHICARKKRKBE-KPKJPENVSA-N. The full InChI is InChI=1S/C11H19N/c1-8-4-9(2)6-11(5-8)10(3)7-12/h4,7-8,10-12H,5-6H2,1-3H3/b12-7+.
What are the key properties of 2-(3,5-dimethylcyclohex-3-en-1-yl)propan-1-imine?
2-(3,5-dimethylcyclohex-3-en-1-yl)propan-1-imine has a molecular weight of 165.28 g/mol, XLogP of 3.26, 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)propan-1-imine is sourced from PubChem (CID 89246740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).