4-[methyl-[(5-methyloxolan-2-yl)methyl]amino]cyclohexan-1-one

C13H23NO2 — CID 103134322

IUPAC4-[methyl-[(5-methyloxolan-2-yl)methyl]amino]cyclohexan-1-one
SMILESCC1CCC(CN(C)C2CCC(=O)CC2)O1
InChIInChI=1S/C13H23NO2/c1-10-3-8-13(16-10)9-14(2)11-4-6-12(15)7-5-11/h10-11,13H,3-9H2,1-2H3
InChIKeyPOGSMIJBFCZRMT-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.00
Rot. Bonds3

About 4-[methyl-[(5-methyloxolan-2-yl)methyl]amino]cyclohexan-1-one

4-[methyl-[(5-methyloxolan-2-yl)methyl]amino]cyclohexan-1-one (PubChem CID 103134322) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 4-[methyl-[(5-methyloxolan-2-yl)methyl]amino]cyclohexan-1-one.

Molecular Properties

Compound Name4-[methyl-[(5-methyloxolan-2-yl)methyl]amino]cyclohexan-1-one
PubChem CID103134322
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name4-[methyl-[(5-methyloxolan-2-yl)methyl]amino]cyclohexan-1-one
SMILESCC1CCC(CN(C)C2CCC(=O)CC2)O1
InChIInChI=1S/C13H23NO2/c1-10-3-8-13(16-10)9-14(2)11-4-6-12(15)7-5-11/h10-11,13H,3-9H2,1-2H3
InChIKeyPOGSMIJBFCZRMT-UHFFFAOYSA-N
XLogP2.00
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[(5-methyloxolan-2-yl)methyl]methanesulfonamide
CID 130659174
6-[2-(5-methyloxolan-2-yl)ethyl]oxan-2-one
CID 123255677
4-[(2-hydroxy-2-methylpropyl)-methylamino]cyclohexan-1-one
CID 79120099
4-[3-hydroxypropyl(methyl)amino]cyclohexan-1-one
CID 79120512
4-[2-ethylbutyl(methyl)amino]cyclohexan-1-one
CID 82927370
4-[2-cyclobutylethyl(methyl)amino]cyclohexan-1-one
CID 117039789
4-[but-3-ynyl(methyl)amino]cyclohexan-1-one
CID 79119767
4-[decyl(methyl)amino]cyclohexan-1-one
CID 79120098
4-[methyl(thiophen-2-ylmethyl)amino]cyclohexan-1-one
CID 79120186
5-[[methyl(piperidin-4-yl)amino]methyl]oxolane-2-carboxylic acid
CID 55053708
N-(2-chloroethyl)-N-[(5-methyloxolan-2-yl)methyl]cyclopropanamine
CID 103139756
1-bromo-N,2-dimethyl-N-[(5-methyloxolan-2-yl)methyl]propan-2-amine
CID 103139985

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[(5-methyloxolan-2-yl)methyl]amino]cyclohexan-1-one?
The IUPAC name of 4-[methyl-[(5-methyloxolan-2-yl)methyl]amino]cyclohexan-1-one (CID 103134322) is 4-[methyl-[(5-methyloxolan-2-yl)methyl]amino]cyclohexan-1-one.
What is the SMILES notation for 4-[methyl-[(5-methyloxolan-2-yl)methyl]amino]cyclohexan-1-one?
The canonical SMILES for 4-[methyl-[(5-methyloxolan-2-yl)methyl]amino]cyclohexan-1-one is CC1CCC(CN(C)C2CCC(=O)CC2)O1.
What is the InChIKey of 4-[methyl-[(5-methyloxolan-2-yl)methyl]amino]cyclohexan-1-one?
The InChIKey is POGSMIJBFCZRMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-10-3-8-13(16-10)9-14(2)11-4-6-12(15)7-5-11/h10-11,13H,3-9H2,1-2H3.
What are the key properties of 4-[methyl-[(5-methyloxolan-2-yl)methyl]amino]cyclohexan-1-one?
4-[methyl-[(5-methyloxolan-2-yl)methyl]amino]cyclohexan-1-one has a molecular weight of 225.33 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[(5-methyloxolan-2-yl)methyl]amino]cyclohexan-1-one is sourced from PubChem (CID 103134322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).