(2-methylcyclohexen-1-yl)methanimine

C8H13N — CID 126708172

IUPAC(2-methylcyclohexen-1-yl)methanimine
SMILES[H]/N=C/C1=C(C)CCCC1
InChIInChI=1S/C8H13N/c1-7-4-2-3-5-8(7)6-9/h6,9H,2-5H2,1H3/b9-6+
InChIKeyLDGAHKSSFADRBN-RMKNXTFCSA-N
MW123.20 g/mol
LogP2.53
Rot. Bonds1

About (2-methylcyclohexen-1-yl)methanimine

(2-methylcyclohexen-1-yl)methanimine (PubChem CID 126708172) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is (2-methylcyclohexen-1-yl)methanimine.

Molecular Properties

Compound Name(2-methylcyclohexen-1-yl)methanimine
PubChem CID126708172
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name(2-methylcyclohexen-1-yl)methanimine
SMILES[H]/N=C/C1=C(C)CCCC1
InChIInChI=1S/C8H13N/c1-7-4-2-3-5-8(7)6-9/h6,9H,2-5H2,1H3/b9-6+
InChIKeyLDGAHKSSFADRBN-RMKNXTFCSA-N
XLogP2.53
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 ≤ 52.53
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 (2-methylcyclohexen-1-yl)methanimine?
The IUPAC name of (2-methylcyclohexen-1-yl)methanimine (CID 126708172) is (2-methylcyclohexen-1-yl)methanimine.
What is the SMILES notation for (2-methylcyclohexen-1-yl)methanimine?
The canonical SMILES for (2-methylcyclohexen-1-yl)methanimine is [H]/N=C/C1=C(C)CCCC1.
What is the InChIKey of (2-methylcyclohexen-1-yl)methanimine?
The InChIKey is LDGAHKSSFADRBN-RMKNXTFCSA-N. The full InChI is InChI=1S/C8H13N/c1-7-4-2-3-5-8(7)6-9/h6,9H,2-5H2,1H3/b9-6+.
What are the key properties of (2-methylcyclohexen-1-yl)methanimine?
(2-methylcyclohexen-1-yl)methanimine has a molecular weight of 123.20 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylcyclohexen-1-yl)methanimine is sourced from PubChem (CID 126708172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).