(4-methylcyclohexen-1-yl)methanimine

C8H13N — CID 142058234

IUPAC(4-methylcyclohexen-1-yl)methanimine
SMILES[H]/N=C/C1=CCC(C)CC1
InChIInChI=1S/C8H13N/c1-7-2-4-8(6-9)5-3-7/h4,6-7,9H,2-3,5H2,1H3/b9-6+
InChIKeyYYZKFLHXGQUCKC-RMKNXTFCSA-N
MW123.20 g/mol
LogP2.38
Rot. Bonds1

About (4-methylcyclohexen-1-yl)methanimine

(4-methylcyclohexen-1-yl)methanimine (PubChem CID 142058234) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is (4-methylcyclohexen-1-yl)methanimine.

Molecular Properties

Compound Name(4-methylcyclohexen-1-yl)methanimine
PubChem CID142058234
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name(4-methylcyclohexen-1-yl)methanimine
SMILES[H]/N=C/C1=CCC(C)CC1
InChIInChI=1S/C8H13N/c1-7-2-4-8(6-9)5-3-7/h4,6-7,9H,2-3,5H2,1H3/b9-6+
InChIKeyYYZKFLHXGQUCKC-RMKNXTFCSA-N
XLogP2.38
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
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 (4-methylcyclohexen-1-yl)methanimine?
The IUPAC name of (4-methylcyclohexen-1-yl)methanimine (CID 142058234) is (4-methylcyclohexen-1-yl)methanimine.
What is the SMILES notation for (4-methylcyclohexen-1-yl)methanimine?
The canonical SMILES for (4-methylcyclohexen-1-yl)methanimine is [H]/N=C/C1=CCC(C)CC1.
What is the InChIKey of (4-methylcyclohexen-1-yl)methanimine?
The InChIKey is YYZKFLHXGQUCKC-RMKNXTFCSA-N. The full InChI is InChI=1S/C8H13N/c1-7-2-4-8(6-9)5-3-7/h4,6-7,9H,2-3,5H2,1H3/b9-6+.
What are the key properties of (4-methylcyclohexen-1-yl)methanimine?
(4-methylcyclohexen-1-yl)methanimine has a molecular weight of 123.20 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylcyclohexen-1-yl)methanimine is sourced from PubChem (CID 142058234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).