2-[[cyclopropyl(methyl)amino]methyl]-3,5-dimethylcyclohexan-1-one

C13H23NO — CID 64737367

IUPAC2-[[cyclopropyl(methyl)amino]methyl]-3,5-dimethylcyclohexan-1-one
SMILESCC1CC(=O)C(CN(C)C2CC2)C(C)C1
InChIInChI=1S/C13H23NO/c1-9-6-10(2)12(13(15)7-9)8-14(3)11-4-5-11/h9-12H,4-8H2,1-3H3
InChIKeyVSBWWPDGWZLXGS-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.33
Rot. Bonds3

About 2-[[cyclopropyl(methyl)amino]methyl]-3,5-dimethylcyclohexan-1-one

2-[[cyclopropyl(methyl)amino]methyl]-3,5-dimethylcyclohexan-1-one (PubChem CID 64737367) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 2-[[cyclopropyl(methyl)amino]methyl]-3,5-dimethylcyclohexan-1-one.

Molecular Properties

Compound Name2-[[cyclopropyl(methyl)amino]methyl]-3,5-dimethylcyclohexan-1-one
PubChem CID64737367
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name2-[[cyclopropyl(methyl)amino]methyl]-3,5-dimethylcyclohexan-1-one
SMILESCC1CC(=O)C(CN(C)C2CC2)C(C)C1
InChIInChI=1S/C13H23NO/c1-9-6-10(2)12(13(15)7-9)8-14(3)11-4-5-11/h9-12H,4-8H2,1-3H3
InChIKeyVSBWWPDGWZLXGS-UHFFFAOYSA-N
XLogP2.33
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dimethyl-2-[[methyl(thiolan-3-yl)amino]methyl]cyclohexan-1-one
CID 64734817
3,5-dimethyl-2-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]cyclohexan-1-one
CID 64736206
2-[[cyclopropyl(3-methylbutyl)amino]methyl]-3,5-dimethylcyclohexan-1-one
CID 78999204
2-[[bis(2-methylpropyl)amino]methyl]-3,5-dimethylcyclohexan-1-one
CID 64737762
2-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-3,5-dimethylcyclohexan-1-one
CID 64737376
3,5-dimethyl-2-[[methyl(oxan-2-ylmethyl)amino]methyl]cyclohexan-1-one
CID 64735209
2-[(2-methoxy-N-methylanilino)methyl]-3,5-dimethylcyclohexan-1-one
CID 64736984
2-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-3,5-dimethylcyclohexan-1-one
CID 64737576
2-[[(2-bromophenyl)methyl-methylamino]methyl]-3,5-dimethylcyclohexan-1-one
CID 64735603
2-[[benzyl(propan-2-yl)amino]methyl]-3,5-dimethylcyclohexan-1-one
CID 64735593
2-[[ethyl(furan-2-ylmethyl)amino]methyl]-3,5-dimethylcyclohexan-1-one
CID 64736787
2-[(N-ethyl-2-methylanilino)methyl]-3,5-dimethylcyclohexan-1-one
CID 64735996

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropyl(methyl)amino]methyl]-3,5-dimethylcyclohexan-1-one?
The IUPAC name of 2-[[cyclopropyl(methyl)amino]methyl]-3,5-dimethylcyclohexan-1-one (CID 64737367) is 2-[[cyclopropyl(methyl)amino]methyl]-3,5-dimethylcyclohexan-1-one.
What is the SMILES notation for 2-[[cyclopropyl(methyl)amino]methyl]-3,5-dimethylcyclohexan-1-one?
The canonical SMILES for 2-[[cyclopropyl(methyl)amino]methyl]-3,5-dimethylcyclohexan-1-one is CC1CC(=O)C(CN(C)C2CC2)C(C)C1.
What is the InChIKey of 2-[[cyclopropyl(methyl)amino]methyl]-3,5-dimethylcyclohexan-1-one?
The InChIKey is VSBWWPDGWZLXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-9-6-10(2)12(13(15)7-9)8-14(3)11-4-5-11/h9-12H,4-8H2,1-3H3.
What are the key properties of 2-[[cyclopropyl(methyl)amino]methyl]-3,5-dimethylcyclohexan-1-one?
2-[[cyclopropyl(methyl)amino]methyl]-3,5-dimethylcyclohexan-1-one has a molecular weight of 209.33 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropyl(methyl)amino]methyl]-3,5-dimethylcyclohexan-1-one is sourced from PubChem (CID 64737367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).