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

C8H13N — CID 12562472

IUPAC3,5-dimethylcyclohex-2-en-1-imine
SMILES[H]/N=C1/C=C(C)CC(C)C1
InChIInChI=1S/C8H13N/c1-6-3-7(2)5-8(9)4-6/h4,7,9H,3,5H2,1-2H3/b9-8-
InChIKeyRLBXYVFSLYCBHR-HJWRWDBZSA-N
MW123.20 g/mol
LogP2.38
Rot. Bonds

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

3,5-dimethylcyclohex-2-en-1-imine (PubChem CID 12562472) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 3,5-dimethylcyclohex-2-en-1-imine.

Molecular Properties

Compound Name3,5-dimethylcyclohex-2-en-1-imine
PubChem CID12562472
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name3,5-dimethylcyclohex-2-en-1-imine
SMILES[H]/N=C1/C=C(C)CC(C)C1
InChIInChI=1S/C8H13N/c1-6-3-7(2)5-8(9)4-6/h4,7,9H,3,5H2,1-2H3/b9-8-
InChIKeyRLBXYVFSLYCBHR-HJWRWDBZSA-N
XLogP2.38
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 52.38
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 3,5-dimethylcyclohex-2-en-1-imine?
The IUPAC name of 3,5-dimethylcyclohex-2-en-1-imine (CID 12562472) is 3,5-dimethylcyclohex-2-en-1-imine.
What is the SMILES notation for 3,5-dimethylcyclohex-2-en-1-imine?
The canonical SMILES for 3,5-dimethylcyclohex-2-en-1-imine is [H]/N=C1/C=C(C)CC(C)C1.
What is the InChIKey of 3,5-dimethylcyclohex-2-en-1-imine?
The InChIKey is RLBXYVFSLYCBHR-HJWRWDBZSA-N. The full InChI is InChI=1S/C8H13N/c1-6-3-7(2)5-8(9)4-6/h4,7,9H,3,5H2,1-2H3/b9-8-.
What are the key properties of 3,5-dimethylcyclohex-2-en-1-imine?
3,5-dimethylcyclohex-2-en-1-imine has a molecular weight of 123.20 g/mol, XLogP of 2.38, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethylcyclohex-2-en-1-imine is sourced from PubChem (CID 12562472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).