2-amino-2-methyl-1-(oxan-3-yl)butan-1-one

C10H19NO2 — CID 107138432

IUPAC2-amino-2-methyl-1-(oxan-3-yl)butan-1-one
SMILESCCC(C)(N)C(=O)C1CCCOC1
InChIInChI=1S/C10H19NO2/c1-3-10(2,11)9(12)8-5-4-6-13-7-8/h8H,3-7,11H2,1-2H3
InChIKeyYHRRXJQZCGXRDE-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.11
Rot. Bonds3

About 2-amino-2-methyl-1-(oxan-3-yl)butan-1-one

2-amino-2-methyl-1-(oxan-3-yl)butan-1-one (PubChem CID 107138432) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-amino-2-methyl-1-(oxan-3-yl)butan-1-one.

Molecular Properties

Compound Name2-amino-2-methyl-1-(oxan-3-yl)butan-1-one
PubChem CID107138432
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name2-amino-2-methyl-1-(oxan-3-yl)butan-1-one
SMILESCCC(C)(N)C(=O)C1CCCOC1
InChIInChI=1S/C10H19NO2/c1-3-10(2,11)9(12)8-5-4-6-13-7-8/h8H,3-7,11H2,1-2H3
InChIKeyYHRRXJQZCGXRDE-UHFFFAOYSA-N
XLogP1.11
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-cyclopropyl-1-(oxan-3-yl)propan-1-one
CID 107138320
2-hydroxy-2-methyl-1-(oxan-3-yl)propan-1-one
CID 107136046
2-ethyl-2-methoxy-1-(oxan-3-yl)butan-1-one
CID 107136019
2-(dimethylamino)-2-ethyl-1-(oxan-3-yl)butan-1-one
CID 107135929
2-fluoro-2-methyl-1-(oxan-3-yl)propan-1-one
CID 130562345
4-amino-4-methyl-1-(oxan-3-yl)pentan-1-one
CID 107138368
2-methyl-1-(oxan-3-yl)-2-pyrrolidin-1-ylpropan-1-one
CID 107135922
2,2-dimethyl-1-(oxolan-3-yl)butan-1-one
CID 114972062
2-amino-N,2-dimethyl-N-(oxan-3-ylmethyl)butanamide
CID 79811911
oxane-3-carboxamide
CID 22714381
2-amino-2-methyl-N-(oxan-3-yl)pentanamide;hydrochloride
CID 119774898
1-(oxan-3-yl)pentan-1-one
CID 65332332

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-1-(oxan-3-yl)butan-1-one?
The IUPAC name of 2-amino-2-methyl-1-(oxan-3-yl)butan-1-one (CID 107138432) is 2-amino-2-methyl-1-(oxan-3-yl)butan-1-one.
What is the SMILES notation for 2-amino-2-methyl-1-(oxan-3-yl)butan-1-one?
The canonical SMILES for 2-amino-2-methyl-1-(oxan-3-yl)butan-1-one is CCC(C)(N)C(=O)C1CCCOC1.
What is the InChIKey of 2-amino-2-methyl-1-(oxan-3-yl)butan-1-one?
The InChIKey is YHRRXJQZCGXRDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-3-10(2,11)9(12)8-5-4-6-13-7-8/h8H,3-7,11H2,1-2H3.
What are the key properties of 2-amino-2-methyl-1-(oxan-3-yl)butan-1-one?
2-amino-2-methyl-1-(oxan-3-yl)butan-1-one has a molecular weight of 185.27 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-1-(oxan-3-yl)butan-1-one is sourced from PubChem (CID 107138432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).