4-[(3-hydroxycyclobutyl)methyl-methylamino]-3,3-dimethylbutan-2-one

C12H23NO2 — CID 66452953

IUPAC4-[(3-hydroxycyclobutyl)methyl-methylamino]-3,3-dimethylbutan-2-one
SMILESCC(=O)C(C)(C)CN(C)CC1CC(O)C1
InChIInChI=1S/C12H23NO2/c1-9(14)12(2,3)8-13(4)7-10-5-11(15)6-10/h10-11,15H,5-8H2,1-4H3
InChIKeyCHGBUJSTGWNWLM-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.30
Rot. Bonds5

About 4-[(3-hydroxycyclobutyl)methyl-methylamino]-3,3-dimethylbutan-2-one

4-[(3-hydroxycyclobutyl)methyl-methylamino]-3,3-dimethylbutan-2-one (PubChem CID 66452953) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 4-[(3-hydroxycyclobutyl)methyl-methylamino]-3,3-dimethylbutan-2-one.

Molecular Properties

Compound Name4-[(3-hydroxycyclobutyl)methyl-methylamino]-3,3-dimethylbutan-2-one
PubChem CID66452953
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name4-[(3-hydroxycyclobutyl)methyl-methylamino]-3,3-dimethylbutan-2-one
SMILESCC(=O)C(C)(C)CN(C)CC1CC(O)C1
InChIInChI=1S/C12H23NO2/c1-9(14)12(2,3)8-13(4)7-10-5-11(15)6-10/h10-11,15H,5-8H2,1-4H3
InChIKeyCHGBUJSTGWNWLM-UHFFFAOYSA-N
XLogP1.30
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-N-[(3-hydroxycyclobutyl)methyl]-N,2-dimethylpropanamide
CID 103430165
3-[[[(2S)-2-hydroxypropyl]-methylamino]methyl]cyclobutan-1-ol
CID 106932837
tert-butyl N-[[4-[[(3-hydroxycyclobutyl)methyl-methylamino]methyl]cyclohexyl]methyl]carbamate
CID 122141643
2-amino-N-[(3-hydroxycyclobutyl)methyl]-N,2-dimethylbutanamide
CID 79811820
2-(aminomethyl)-N-[(3-hydroxycyclobutyl)methyl]-N,2-dimethylbutanamide
CID 114290798
4-[2-methoxyethyl(methyl)amino]-3,3-dimethylbutan-2-one
CID 66453162
2-[[2,2-dimethylpropyl(methyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115221565
2-cyclobutyl-N-[(3-hydroxycyclobutyl)methyl]-N-methylacetamide
CID 102737604
3-bromo-N-[(3-hydroxycyclobutyl)methyl]-N-methylprop-2-ynamide
CID 130625345
3-(2,2-dimethylpropyl)cyclobutan-1-ol
CID 66598008
3-[[2,2-dimethylpropyl(methyl)amino]methyl]cyclopentan-1-amine
CID 66008220
2-[4-[[(3-hydroxycyclobutyl)methyl-methylamino]methyl]phenyl]propanoic acid
CID 105346084

Frequently Asked Questions

What is the IUPAC name of 4-[(3-hydroxycyclobutyl)methyl-methylamino]-3,3-dimethylbutan-2-one?
The IUPAC name of 4-[(3-hydroxycyclobutyl)methyl-methylamino]-3,3-dimethylbutan-2-one (CID 66452953) is 4-[(3-hydroxycyclobutyl)methyl-methylamino]-3,3-dimethylbutan-2-one.
What is the SMILES notation for 4-[(3-hydroxycyclobutyl)methyl-methylamino]-3,3-dimethylbutan-2-one?
The canonical SMILES for 4-[(3-hydroxycyclobutyl)methyl-methylamino]-3,3-dimethylbutan-2-one is CC(=O)C(C)(C)CN(C)CC1CC(O)C1.
What is the InChIKey of 4-[(3-hydroxycyclobutyl)methyl-methylamino]-3,3-dimethylbutan-2-one?
The InChIKey is CHGBUJSTGWNWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-9(14)12(2,3)8-13(4)7-10-5-11(15)6-10/h10-11,15H,5-8H2,1-4H3.
What are the key properties of 4-[(3-hydroxycyclobutyl)methyl-methylamino]-3,3-dimethylbutan-2-one?
4-[(3-hydroxycyclobutyl)methyl-methylamino]-3,3-dimethylbutan-2-one has a molecular weight of 213.32 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-hydroxycyclobutyl)methyl-methylamino]-3,3-dimethylbutan-2-one is sourced from PubChem (CID 66452953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).