2-[methyl(2-methylpropyl)amino]cyclohexan-1-one

C11H21NO — CID 43795669

IUPAC2-[methyl(2-methylpropyl)amino]cyclohexan-1-one
SMILESCC(C)CN(C)C1CCCCC1=O
InChIInChI=1S/C11H21NO/c1-9(2)8-12(3)10-6-4-5-7-11(10)13/h9-10H,4-8H2,1-3H3
InChIKeyVSJBFRVMFKVBEI-UHFFFAOYSA-N
MW183.30 g/mol
LogP2.09
Rot. Bonds3

About 2-[methyl(2-methylpropyl)amino]cyclohexan-1-one

2-[methyl(2-methylpropyl)amino]cyclohexan-1-one (PubChem CID 43795669) has the molecular formula C11H21NO and a molecular weight of 183.30 g/mol. Its IUPAC name is 2-[methyl(2-methylpropyl)amino]cyclohexan-1-one.

Molecular Properties

Compound Name2-[methyl(2-methylpropyl)amino]cyclohexan-1-one
PubChem CID43795669
Molecular FormulaC11H21NO
Molecular Weight183.30 g/mol
Exact Mass183.16
IUPAC Name2-[methyl(2-methylpropyl)amino]cyclohexan-1-one
SMILESCC(C)CN(C)C1CCCCC1=O
InChIInChI=1S/C11H21NO/c1-9(2)8-12(3)10-6-4-5-7-11(10)13/h9-10H,4-8H2,1-3H3
InChIKeyVSJBFRVMFKVBEI-UHFFFAOYSA-N
XLogP2.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[methyl(2-methylpropyl)amino]cyclohexan-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

Related Compounds

2-[methyl(2-methylpropyl)amino]cyclopentan-1-one
CID 43795675
2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]cyclohexan-1-one
CID 55010795
2-[methyl(pentyl)amino]cyclohexan-1-one
CID 43796037
2-[methyl(2,2,2-trifluoroethyl)amino]cycloheptan-1-one
CID 60892125
2-[methyl(2-methylsulfanylethyl)amino]cycloheptan-1-one
CID 112661915
3-[methyl-(2-oxocyclohexyl)amino]propanenitrile
CID 62051152
2-[1-cyclopropylethyl(methyl)amino]cycloheptan-1-one
CID 60863640
2-[(1-hydroxycyclopentyl)methyl-methylamino]cyclohexan-1-one
CID 114950414
2-[benzyl(3-methylbutyl)amino]cyclohexan-1-one
CID 166083528
2-[methyl(pyridin-4-ylmethyl)amino]cycloheptan-1-one
CID 60863279
3-[methyl-(2-oxocycloheptyl)amino]butanenitrile
CID 63223261
2-[cycloheptyl(methyl)amino]cycloheptan-1-one
CID 60863113

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(2-methylpropyl)amino]cyclohexan-1-one?
The IUPAC name of 2-[methyl(2-methylpropyl)amino]cyclohexan-1-one (CID 43795669) is 2-[methyl(2-methylpropyl)amino]cyclohexan-1-one.
What is the SMILES notation for 2-[methyl(2-methylpropyl)amino]cyclohexan-1-one?
The canonical SMILES for 2-[methyl(2-methylpropyl)amino]cyclohexan-1-one is CC(C)CN(C)C1CCCCC1=O.
What is the InChIKey of 2-[methyl(2-methylpropyl)amino]cyclohexan-1-one?
The InChIKey is VSJBFRVMFKVBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-9(2)8-12(3)10-6-4-5-7-11(10)13/h9-10H,4-8H2,1-3H3.
What are the key properties of 2-[methyl(2-methylpropyl)amino]cyclohexan-1-one?
2-[methyl(2-methylpropyl)amino]cyclohexan-1-one has a molecular weight of 183.30 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2-methylpropyl)amino]cyclohexan-1-one is sourced from PubChem (CID 43795669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).