6-methanimidoyl-N,3-dimethyl-4-propan-2-ylcyclohexen-1-amine

C12H22N2 — CID 146207418

IUPAC6-methanimidoyl-N,3-dimethyl-4-propan-2-ylcyclohexen-1-amine
SMILES[H]/N=C/C1CC(C(C)C)C(C)C=C1NC
InChIInChI=1S/C12H22N2/c1-8(2)11-6-10(7-13)12(14-4)5-9(11)3/h5,7-11,13-14H,6H2,1-4H3/b13-7+
InChIKeyYKSUHSGYEMIQOC-NTUHNPAUSA-N
MW194.32 g/mol
LogP2.67
Rot. Bonds3

About 6-methanimidoyl-N,3-dimethyl-4-propan-2-ylcyclohexen-1-amine

6-methanimidoyl-N,3-dimethyl-4-propan-2-ylcyclohexen-1-amine (PubChem CID 146207418) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 6-methanimidoyl-N,3-dimethyl-4-propan-2-ylcyclohexen-1-amine.

Molecular Properties

Compound Name6-methanimidoyl-N,3-dimethyl-4-propan-2-ylcyclohexen-1-amine
PubChem CID146207418
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name6-methanimidoyl-N,3-dimethyl-4-propan-2-ylcyclohexen-1-amine
SMILES[H]/N=C/C1CC(C(C)C)C(C)C=C1NC
InChIInChI=1S/C12H22N2/c1-8(2)11-6-10(7-13)12(14-4)5-9(11)3/h5,7-11,13-14H,6H2,1-4H3/b13-7+
InChIKeyYKSUHSGYEMIQOC-NTUHNPAUSA-N
XLogP2.67
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-methanimidoyl-N,3-dimethyl-4-propan-2-ylcyclohexen-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-methanimidoyl-N,3-dimethyl-4-propan-2-ylcyclohexen-1-amine?
The IUPAC name of 6-methanimidoyl-N,3-dimethyl-4-propan-2-ylcyclohexen-1-amine (CID 146207418) is 6-methanimidoyl-N,3-dimethyl-4-propan-2-ylcyclohexen-1-amine.
What is the SMILES notation for 6-methanimidoyl-N,3-dimethyl-4-propan-2-ylcyclohexen-1-amine?
The canonical SMILES for 6-methanimidoyl-N,3-dimethyl-4-propan-2-ylcyclohexen-1-amine is [H]/N=C/C1CC(C(C)C)C(C)C=C1NC.
What is the InChIKey of 6-methanimidoyl-N,3-dimethyl-4-propan-2-ylcyclohexen-1-amine?
The InChIKey is YKSUHSGYEMIQOC-NTUHNPAUSA-N. The full InChI is InChI=1S/C12H22N2/c1-8(2)11-6-10(7-13)12(14-4)5-9(11)3/h5,7-11,13-14H,6H2,1-4H3/b13-7+.
What are the key properties of 6-methanimidoyl-N,3-dimethyl-4-propan-2-ylcyclohexen-1-amine?
6-methanimidoyl-N,3-dimethyl-4-propan-2-ylcyclohexen-1-amine has a molecular weight of 194.32 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methanimidoyl-N,3-dimethyl-4-propan-2-ylcyclohexen-1-amine is sourced from PubChem (CID 146207418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).