N-(2-methylcyclohexen-1-yl)methanimine

C8H13N — CID 123810516

IUPACN-(2-methylcyclohexen-1-yl)methanimine
SMILESC=NC1=C(C)CCCC1
InChIInChI=1S/C8H13N/c1-7-5-3-4-6-8(7)9-2/h2-6H2,1H3
InChIKeyXGTIESWQWFVDHR-UHFFFAOYSA-N
MW123.20 g/mol
LogP2.54
Rot. Bonds1

About N-(2-methylcyclohexen-1-yl)methanimine

N-(2-methylcyclohexen-1-yl)methanimine (PubChem CID 123810516) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is N-(2-methylcyclohexen-1-yl)methanimine.

Molecular Properties

Compound NameN-(2-methylcyclohexen-1-yl)methanimine
PubChem CID123810516
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC NameN-(2-methylcyclohexen-1-yl)methanimine
SMILESC=NC1=C(C)CCCC1
InChIInChI=1S/C8H13N/c1-7-5-3-4-6-8(7)9-2/h2-6H2,1H3
InChIKeyXGTIESWQWFVDHR-UHFFFAOYSA-N
XLogP2.54
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 52.54
H-Bond Donors ≤ 50
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 N-(2-methylcyclohexen-1-yl)methanimine?
The IUPAC name of N-(2-methylcyclohexen-1-yl)methanimine (CID 123810516) is N-(2-methylcyclohexen-1-yl)methanimine.
What is the SMILES notation for N-(2-methylcyclohexen-1-yl)methanimine?
The canonical SMILES for N-(2-methylcyclohexen-1-yl)methanimine is C=NC1=C(C)CCCC1.
What is the InChIKey of N-(2-methylcyclohexen-1-yl)methanimine?
The InChIKey is XGTIESWQWFVDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-7-5-3-4-6-8(7)9-2/h2-6H2,1H3.
What are the key properties of N-(2-methylcyclohexen-1-yl)methanimine?
N-(2-methylcyclohexen-1-yl)methanimine has a molecular weight of 123.20 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylcyclohexen-1-yl)methanimine is sourced from PubChem (CID 123810516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).