3,5-dimethyl-2-[[methyl(oxan-2-ylmethyl)amino]methyl]cyclohexan-1-one

C16H29NO2 — CID 64735209

IUPAC3,5-dimethyl-2-[[methyl(oxan-2-ylmethyl)amino]methyl]cyclohexan-1-one
SMILESCC1CC(=O)C(CN(C)CC2CCCCO2)C(C)C1
InChIInChI=1S/C16H29NO2/c1-12-8-13(2)15(16(18)9-12)11-17(3)10-14-6-4-5-7-19-14/h12-15H,4-11H2,1-3H3
InChIKeyKTJBWJGWZRSFPY-UHFFFAOYSA-N
MW267.41 g/mol
LogP2.74
Rot. Bonds4

About 3,5-dimethyl-2-[[methyl(oxan-2-ylmethyl)amino]methyl]cyclohexan-1-one

3,5-dimethyl-2-[[methyl(oxan-2-ylmethyl)amino]methyl]cyclohexan-1-one (PubChem CID 64735209) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is 3,5-dimethyl-2-[[methyl(oxan-2-ylmethyl)amino]methyl]cyclohexan-1-one.

Molecular Properties

Compound Name3,5-dimethyl-2-[[methyl(oxan-2-ylmethyl)amino]methyl]cyclohexan-1-one
PubChem CID64735209
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name3,5-dimethyl-2-[[methyl(oxan-2-ylmethyl)amino]methyl]cyclohexan-1-one
SMILESCC1CC(=O)C(CN(C)CC2CCCCO2)C(C)C1
InChIInChI=1S/C16H29NO2/c1-12-8-13(2)15(16(18)9-12)11-17(3)10-14-6-4-5-7-19-14/h12-15H,4-11H2,1-3H3
InChIKeyKTJBWJGWZRSFPY-UHFFFAOYSA-N
XLogP2.74
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-3,5-dimethylcyclohexan-1-one
CID 64737376
2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-3,5-dimethylcyclohexan-1-one
CID 64736989
N-methyl-N-(oxan-2-ylmethyl)propan-1-amine
CID 169307436
3-[methyl(oxan-2-ylmethyl)amino]propanenitrile
CID 43403608
N-(4-methylcyclohexyl)-2-[methyl(oxan-2-ylmethyl)amino]acetamide
CID 86825193
N-methyl-N-(oxepan-2-ylmethyl)propan-1-amine
CID 169307437
2-chloro-N-methyl-N-(oxolan-2-ylmethyl)ethanamine
CID 61436036
N-methyl-N-(oxan-2-ylmethyl)-1-[(2S)-pyrrolidin-2-yl]methanamine
CID 104870155
N-[(1R,2R)-2-methylcyclohexyl]-2-[methyl-[[(2S)-oxan-2-yl]methyl]amino]acetamide
CID 99614050
N-methyl-N-[(4-methylpyrrolidin-3-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 63714376
3-amino-N,4-dimethyl-N-(oxan-2-ylmethyl)cyclohexane-1-carboxamide
CID 62781110
N,N-dimethyl-5-[[methyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]pyrimidin-2-amine
CID 99576651

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-[[methyl(oxan-2-ylmethyl)amino]methyl]cyclohexan-1-one?
The IUPAC name of 3,5-dimethyl-2-[[methyl(oxan-2-ylmethyl)amino]methyl]cyclohexan-1-one (CID 64735209) is 3,5-dimethyl-2-[[methyl(oxan-2-ylmethyl)amino]methyl]cyclohexan-1-one.
What is the SMILES notation for 3,5-dimethyl-2-[[methyl(oxan-2-ylmethyl)amino]methyl]cyclohexan-1-one?
The canonical SMILES for 3,5-dimethyl-2-[[methyl(oxan-2-ylmethyl)amino]methyl]cyclohexan-1-one is CC1CC(=O)C(CN(C)CC2CCCCO2)C(C)C1.
What is the InChIKey of 3,5-dimethyl-2-[[methyl(oxan-2-ylmethyl)amino]methyl]cyclohexan-1-one?
The InChIKey is KTJBWJGWZRSFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-12-8-13(2)15(16(18)9-12)11-17(3)10-14-6-4-5-7-19-14/h12-15H,4-11H2,1-3H3.
What are the key properties of 3,5-dimethyl-2-[[methyl(oxan-2-ylmethyl)amino]methyl]cyclohexan-1-one?
3,5-dimethyl-2-[[methyl(oxan-2-ylmethyl)amino]methyl]cyclohexan-1-one has a molecular weight of 267.41 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-[[methyl(oxan-2-ylmethyl)amino]methyl]cyclohexan-1-one is sourced from PubChem (CID 64735209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).