5-(methylamino)-5-(oxan-4-yl)pentan-2-one

C11H21NO2 — CID 116956247

IUPAC5-(methylamino)-5-(oxan-4-yl)pentan-2-one
SMILESCNC(CCC(C)=O)C1CCOCC1
InChIInChI=1S/C11H21NO2/c1-9(13)3-4-11(12-2)10-5-7-14-8-6-10/h10-12H,3-8H2,1-2H3
InChIKeyYOLOBZJZIZPFKI-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.37
Rot. Bonds5

About 5-(methylamino)-5-(oxan-4-yl)pentan-2-one

5-(methylamino)-5-(oxan-4-yl)pentan-2-one (PubChem CID 116956247) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 5-(methylamino)-5-(oxan-4-yl)pentan-2-one.

Molecular Properties

Compound Name5-(methylamino)-5-(oxan-4-yl)pentan-2-one
PubChem CID116956247
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name5-(methylamino)-5-(oxan-4-yl)pentan-2-one
SMILESCNC(CCC(C)=O)C1CCOCC1
InChIInChI=1S/C11H21NO2/c1-9(13)3-4-11(12-2)10-5-7-14-8-6-10/h10-12H,3-8H2,1-2H3
InChIKeyYOLOBZJZIZPFKI-UHFFFAOYSA-N
XLogP1.37
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethylsulfonyl-N-methyl-1-(oxan-4-yl)butan-1-amine
CID 65334809
N,N'-dimethyl-1-(oxan-4-yl)ethane-1,2-diamine
CID 116948007
2-methoxy-N-methyl-1-(oxan-4-yl)ethanamine
CID 63936278
2-cycloheptyl-N-methyl-1-(oxan-4-yl)ethanamine
CID 115855813
3-ethyl-N-methyl-1-(oxan-4-yl)pentan-1-amine
CID 82923429
tert-butyl 4-cyclopropyl-4-(methylamino)butanoate
CID 58488469
2-amino-3-(methylamino)-3-(oxan-4-yl)propanoic acid
CID 116957433
1-cyclobutyl-N-methyl-2-(oxan-4-yl)ethanamine
CID 64986800
1-(oxan-4-yl)pentane-1,4-dione
CID 62387198
2-amino-2-(oxan-4-yl)-N-propylacetamide
CID 120783160
2-(3-ethoxycyclobutyl)-N-methyl-1-(oxan-4-yl)ethanamine
CID 103168628
4-methyl-1-(oxan-4-yl)pent-4-en-1-amine
CID 114474933

Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-5-(oxan-4-yl)pentan-2-one?
The IUPAC name of 5-(methylamino)-5-(oxan-4-yl)pentan-2-one (CID 116956247) is 5-(methylamino)-5-(oxan-4-yl)pentan-2-one.
What is the SMILES notation for 5-(methylamino)-5-(oxan-4-yl)pentan-2-one?
The canonical SMILES for 5-(methylamino)-5-(oxan-4-yl)pentan-2-one is CNC(CCC(C)=O)C1CCOCC1.
What is the InChIKey of 5-(methylamino)-5-(oxan-4-yl)pentan-2-one?
The InChIKey is YOLOBZJZIZPFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-9(13)3-4-11(12-2)10-5-7-14-8-6-10/h10-12H,3-8H2,1-2H3.
What are the key properties of 5-(methylamino)-5-(oxan-4-yl)pentan-2-one?
5-(methylamino)-5-(oxan-4-yl)pentan-2-one has a molecular weight of 199.29 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-5-(oxan-4-yl)pentan-2-one is sourced from PubChem (CID 116956247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).