2-[(dimethylamino)methyl]-6-methylcyclohexan-1-one

C10H19NO — CID 12927832

IUPAC2-[(dimethylamino)methyl]-6-methylcyclohexan-1-one
SMILESCC1CCCC(CN(C)C)C1=O
InChIInChI=1S/C10H19NO/c1-8-5-4-6-9(10(8)12)7-11(2)3/h8-9H,4-7H2,1-3H3
InChIKeyZDAVLYNMOVBPQN-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.55
Rot. Bonds2

About 2-[(dimethylamino)methyl]-6-methylcyclohexan-1-one

2-[(dimethylamino)methyl]-6-methylcyclohexan-1-one (PubChem CID 12927832) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-6-methylcyclohexan-1-one.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-6-methylcyclohexan-1-one
PubChem CID12927832
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name2-[(dimethylamino)methyl]-6-methylcyclohexan-1-one
SMILESCC1CCCC(CN(C)C)C1=O
InChIInChI=1S/C10H19NO/c1-8-5-4-6-9(10(8)12)7-11(2)3/h8-9H,4-7H2,1-3H3
InChIKeyZDAVLYNMOVBPQN-UHFFFAOYSA-N
XLogP1.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[(dimethylamino)methyl]-6-methylcyclohexan-1-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 2-[(dimethylamino)methyl]-6-methylcyclohexan-1-one?
The IUPAC name of 2-[(dimethylamino)methyl]-6-methylcyclohexan-1-one (CID 12927832) is 2-[(dimethylamino)methyl]-6-methylcyclohexan-1-one.
What is the SMILES notation for 2-[(dimethylamino)methyl]-6-methylcyclohexan-1-one?
The canonical SMILES for 2-[(dimethylamino)methyl]-6-methylcyclohexan-1-one is CC1CCCC(CN(C)C)C1=O.
What is the InChIKey of 2-[(dimethylamino)methyl]-6-methylcyclohexan-1-one?
The InChIKey is ZDAVLYNMOVBPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-8-5-4-6-9(10(8)12)7-11(2)3/h8-9H,4-7H2,1-3H3.
What are the key properties of 2-[(dimethylamino)methyl]-6-methylcyclohexan-1-one?
2-[(dimethylamino)methyl]-6-methylcyclohexan-1-one has a molecular weight of 169.27 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-6-methylcyclohexan-1-one is sourced from PubChem (CID 12927832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).