1-[1-methyl-4-(methyliminomethyl)cyclohexyl]propan-2-one

C12H21NO — CID 59616419

IUPAC1-[1-methyl-4-(methyliminomethyl)cyclohexyl]propan-2-one
SMILESC/N=C/C1CCC(C)(CC(C)=O)CC1
InChIInChI=1S/C12H21NO/c1-10(14)8-12(2)6-4-11(5-7-12)9-13-3/h9,11H,4-8H2,1-3H3/b13-9+
InChIKeyHHGUGRZRGSSJGK-UKTHLTGXSA-N
MW195.31 g/mol
LogP2.86
Rot. Bonds3

About 1-[1-methyl-4-(methyliminomethyl)cyclohexyl]propan-2-one

1-[1-methyl-4-(methyliminomethyl)cyclohexyl]propan-2-one (PubChem CID 59616419) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 1-[1-methyl-4-(methyliminomethyl)cyclohexyl]propan-2-one.

Molecular Properties

Compound Name1-[1-methyl-4-(methyliminomethyl)cyclohexyl]propan-2-one
PubChem CID59616419
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name1-[1-methyl-4-(methyliminomethyl)cyclohexyl]propan-2-one
SMILESC/N=C/C1CCC(C)(CC(C)=O)CC1
InChIInChI=1S/C12H21NO/c1-10(14)8-12(2)6-4-11(5-7-12)9-13-3/h9,11H,4-8H2,1-3H3/b13-9+
InChIKeyHHGUGRZRGSSJGK-UKTHLTGXSA-N
XLogP2.86
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[1-methyl-4-(methyliminomethyl)cyclohexyl]propan-2-one 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 1-[1-methyl-4-(methyliminomethyl)cyclohexyl]propan-2-one?
The IUPAC name of 1-[1-methyl-4-(methyliminomethyl)cyclohexyl]propan-2-one (CID 59616419) is 1-[1-methyl-4-(methyliminomethyl)cyclohexyl]propan-2-one.
What is the SMILES notation for 1-[1-methyl-4-(methyliminomethyl)cyclohexyl]propan-2-one?
The canonical SMILES for 1-[1-methyl-4-(methyliminomethyl)cyclohexyl]propan-2-one is C/N=C/C1CCC(C)(CC(C)=O)CC1.
What is the InChIKey of 1-[1-methyl-4-(methyliminomethyl)cyclohexyl]propan-2-one?
The InChIKey is HHGUGRZRGSSJGK-UKTHLTGXSA-N. The full InChI is InChI=1S/C12H21NO/c1-10(14)8-12(2)6-4-11(5-7-12)9-13-3/h9,11H,4-8H2,1-3H3/b13-9+.
What are the key properties of 1-[1-methyl-4-(methyliminomethyl)cyclohexyl]propan-2-one?
1-[1-methyl-4-(methyliminomethyl)cyclohexyl]propan-2-one has a molecular weight of 195.31 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-methyl-4-(methyliminomethyl)cyclohexyl]propan-2-one is sourced from PubChem (CID 59616419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).