2-(aminomethyl)-2-methyl-1-(oxan-4-yl)butan-1-one

C11H21NO2 — CID 116610851

IUPAC2-(aminomethyl)-2-methyl-1-(oxan-4-yl)butan-1-one
SMILESCCC(C)(CN)C(=O)C1CCOCC1
InChIInChI=1S/C11H21NO2/c1-3-11(2,8-12)10(13)9-4-6-14-7-5-9/h9H,3-8,12H2,1-2H3
InChIKeyYHOGGOFIMCBRPK-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.36
Rot. Bonds4

About 2-(aminomethyl)-2-methyl-1-(oxan-4-yl)butan-1-one

2-(aminomethyl)-2-methyl-1-(oxan-4-yl)butan-1-one (PubChem CID 116610851) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 2-(aminomethyl)-2-methyl-1-(oxan-4-yl)butan-1-one.

Molecular Properties

Compound Name2-(aminomethyl)-2-methyl-1-(oxan-4-yl)butan-1-one
PubChem CID116610851
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name2-(aminomethyl)-2-methyl-1-(oxan-4-yl)butan-1-one
SMILESCCC(C)(CN)C(=O)C1CCOCC1
InChIInChI=1S/C11H21NO2/c1-3-11(2,8-12)10(13)9-4-6-14-7-5-9/h9H,3-8,12H2,1-2H3
InChIKeyYHOGGOFIMCBRPK-UHFFFAOYSA-N
XLogP1.36
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-methylbutan-1-one
CID 116610863
N-[3-(aminomethyl)pentan-3-yl]oxane-4-carboxamide;hydrochloride
CID 119568602
2,2-dimethyl-1-(oxolan-3-yl)butan-1-one
CID 114972062
N-(3-amino-2,2-dimethylpropyl)oxane-4-carboxamide
CID 115365661
2-methyl-1-(oxan-4-yl)-2-pyrrolidin-1-ylpropan-1-one
CID 79056188
2-methyl-2-[[methyl(oxan-4-yl)amino]methyl]butanoic acid
CID 62271389
2-(aminomethyl)-1-cyclobutyl-2-ethylbutan-1-one
CID 116603949
N-[2-(aminomethyl)-2-ethylbutyl]oxolane-3-carboxamide
CID 106250823
N-(2-amino-2-methylpropyl)oxane-4-carboxamide;hydrochloride
CID 119625667
2-amino-2-methyl-N-(oxan-4-yl)butanamide
CID 79797444
N-(1-bromo-3-methylpentan-3-yl)oxane-4-carboxamide
CID 106169351
oxane-4-carboxamide
CID 13197203

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-methyl-1-(oxan-4-yl)butan-1-one?
The IUPAC name of 2-(aminomethyl)-2-methyl-1-(oxan-4-yl)butan-1-one (CID 116610851) is 2-(aminomethyl)-2-methyl-1-(oxan-4-yl)butan-1-one.
What is the SMILES notation for 2-(aminomethyl)-2-methyl-1-(oxan-4-yl)butan-1-one?
The canonical SMILES for 2-(aminomethyl)-2-methyl-1-(oxan-4-yl)butan-1-one is CCC(C)(CN)C(=O)C1CCOCC1.
What is the InChIKey of 2-(aminomethyl)-2-methyl-1-(oxan-4-yl)butan-1-one?
The InChIKey is YHOGGOFIMCBRPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-3-11(2,8-12)10(13)9-4-6-14-7-5-9/h9H,3-8,12H2,1-2H3.
What are the key properties of 2-(aminomethyl)-2-methyl-1-(oxan-4-yl)butan-1-one?
2-(aminomethyl)-2-methyl-1-(oxan-4-yl)butan-1-one has a molecular weight of 199.29 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-methyl-1-(oxan-4-yl)butan-1-one is sourced from PubChem (CID 116610851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).