3-methyliminocyclohexen-1-amine

C7H12N2 — CID 167062163

IUPAC3-methyliminocyclohexen-1-amine
SMILESC/N=C1/C=C(N)CCC1
InChIInChI=1S/C7H12N2/c1-9-7-4-2-3-6(8)5-7/h5H,2-4,8H2,1H3/b9-7+
InChIKeyZWDKPIKIQOZRKU-VQHVLOKHSA-N
MW124.19 g/mol
LogP1.08
Rot. Bonds

About 3-methyliminocyclohexen-1-amine

3-methyliminocyclohexen-1-amine (PubChem CID 167062163) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 3-methyliminocyclohexen-1-amine.

Molecular Properties

Compound Name3-methyliminocyclohexen-1-amine
PubChem CID167062163
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name3-methyliminocyclohexen-1-amine
SMILESC/N=C1/C=C(N)CCC1
InChIInChI=1S/C7H12N2/c1-9-7-4-2-3-6(8)5-7/h5H,2-4,8H2,1H3/b9-7+
InChIKeyZWDKPIKIQOZRKU-VQHVLOKHSA-N
XLogP1.08
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-methyliminocyclohexen-1-amine?
The IUPAC name of 3-methyliminocyclohexen-1-amine (CID 167062163) is 3-methyliminocyclohexen-1-amine.
What is the SMILES notation for 3-methyliminocyclohexen-1-amine?
The canonical SMILES for 3-methyliminocyclohexen-1-amine is C/N=C1/C=C(N)CCC1.
What is the InChIKey of 3-methyliminocyclohexen-1-amine?
The InChIKey is ZWDKPIKIQOZRKU-VQHVLOKHSA-N. The full InChI is InChI=1S/C7H12N2/c1-9-7-4-2-3-6(8)5-7/h5H,2-4,8H2,1H3/b9-7+.
What are the key properties of 3-methyliminocyclohexen-1-amine?
3-methyliminocyclohexen-1-amine has a molecular weight of 124.19 g/mol, XLogP of 1.08, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyliminocyclohexen-1-amine is sourced from PubChem (CID 167062163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).