N-(3-methylcyclohex-3-en-1-yl)methanimine

C8H13N — CID 89283964

IUPACN-(3-methylcyclohex-3-en-1-yl)methanimine
SMILESC=NC1CCC=C(C)C1
InChIInChI=1S/C8H13N/c1-7-4-3-5-8(6-7)9-2/h4,8H,2-3,5-6H2,1H3
InChIKeyREUNKPIUPHNEAW-UHFFFAOYSA-N
MW123.20 g/mol
LogP2.19
Rot. Bonds1

About N-(3-methylcyclohex-3-en-1-yl)methanimine

N-(3-methylcyclohex-3-en-1-yl)methanimine (PubChem CID 89283964) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is N-(3-methylcyclohex-3-en-1-yl)methanimine.

Molecular Properties

Compound NameN-(3-methylcyclohex-3-en-1-yl)methanimine
PubChem CID89283964
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC NameN-(3-methylcyclohex-3-en-1-yl)methanimine
SMILESC=NC1CCC=C(C)C1
InChIInChI=1S/C8H13N/c1-7-4-3-5-8(6-7)9-2/h4,8H,2-3,5-6H2,1H3
InChIKeyREUNKPIUPHNEAW-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylcyclohex-3-en-1-yl)methanimine?
The IUPAC name of N-(3-methylcyclohex-3-en-1-yl)methanimine (CID 89283964) is N-(3-methylcyclohex-3-en-1-yl)methanimine.
What is the SMILES notation for N-(3-methylcyclohex-3-en-1-yl)methanimine?
The canonical SMILES for N-(3-methylcyclohex-3-en-1-yl)methanimine is C=NC1CCC=C(C)C1.
What is the InChIKey of N-(3-methylcyclohex-3-en-1-yl)methanimine?
The InChIKey is REUNKPIUPHNEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-7-4-3-5-8(6-7)9-2/h4,8H,2-3,5-6H2,1H3.
What are the key properties of N-(3-methylcyclohex-3-en-1-yl)methanimine?
N-(3-methylcyclohex-3-en-1-yl)methanimine has a molecular weight of 123.20 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylcyclohex-3-en-1-yl)methanimine is sourced from PubChem (CID 89283964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).