3-methylcyclohex-2-en-1-imine

C7H11N — CID 86209398

IUPAC3-methylcyclohex-2-en-1-imine
SMILES[H]/N=C1/C=C(C)CCC1
InChIInChI=1S/C7H11N/c1-6-3-2-4-7(8)5-6/h5,8H,2-4H2,1H3/b8-7+
InChIKeyIZIGQBLPNFAFSV-BQYQJAHWSA-N
MW109.17 g/mol
LogP2.14
Rot. Bonds

About 3-methylcyclohex-2-en-1-imine

3-methylcyclohex-2-en-1-imine (PubChem CID 86209398) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is 3-methylcyclohex-2-en-1-imine.

Molecular Properties

Compound Name3-methylcyclohex-2-en-1-imine
PubChem CID86209398
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name3-methylcyclohex-2-en-1-imine
SMILES[H]/N=C1/C=C(C)CCC1
InChIInChI=1S/C7H11N/c1-6-3-2-4-7(8)5-6/h5,8H,2-4H2,1H3/b8-7+
InChIKeyIZIGQBLPNFAFSV-BQYQJAHWSA-N
XLogP2.14
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 52.14
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-methylcyclohex-2-en-1-imine?
The IUPAC name of 3-methylcyclohex-2-en-1-imine (CID 86209398) is 3-methylcyclohex-2-en-1-imine.
What is the SMILES notation for 3-methylcyclohex-2-en-1-imine?
The canonical SMILES for 3-methylcyclohex-2-en-1-imine is [H]/N=C1/C=C(C)CCC1.
What is the InChIKey of 3-methylcyclohex-2-en-1-imine?
The InChIKey is IZIGQBLPNFAFSV-BQYQJAHWSA-N. The full InChI is InChI=1S/C7H11N/c1-6-3-2-4-7(8)5-6/h5,8H,2-4H2,1H3/b8-7+.
What are the key properties of 3-methylcyclohex-2-en-1-imine?
3-methylcyclohex-2-en-1-imine has a molecular weight of 109.17 g/mol, XLogP of 2.14, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylcyclohex-2-en-1-imine is sourced from PubChem (CID 86209398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).