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

C10H19NO2 — CID 107138504

IUPAC3-amino-2-methyl-1-(oxan-3-yl)butan-1-one
SMILESCC(N)C(C)C(=O)C1CCCOC1
InChIInChI=1S/C10H19NO2/c1-7(8(2)11)10(12)9-4-3-5-13-6-9/h7-9H,3-6,11H2,1-2H3
InChIKeyVRDJLDHZYVWTJN-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.97
Rot. Bonds3

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

3-amino-2-methyl-1-(oxan-3-yl)butan-1-one (PubChem CID 107138504) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 3-amino-2-methyl-1-(oxan-3-yl)butan-1-one.

Molecular Properties

Compound Name3-amino-2-methyl-1-(oxan-3-yl)butan-1-one
PubChem CID107138504
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name3-amino-2-methyl-1-(oxan-3-yl)butan-1-one
SMILESCC(N)C(C)C(=O)C1CCCOC1
InChIInChI=1S/C10H19NO2/c1-7(8(2)11)10(12)9-4-3-5-13-6-9/h7-9H,3-6,11H2,1-2H3
InChIKeyVRDJLDHZYVWTJN-UHFFFAOYSA-N
XLogP0.97
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 ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-1-(oxan-3-yl)butan-1-one?
The IUPAC name of 3-amino-2-methyl-1-(oxan-3-yl)butan-1-one (CID 107138504) is 3-amino-2-methyl-1-(oxan-3-yl)butan-1-one.
What is the SMILES notation for 3-amino-2-methyl-1-(oxan-3-yl)butan-1-one?
The canonical SMILES for 3-amino-2-methyl-1-(oxan-3-yl)butan-1-one is CC(N)C(C)C(=O)C1CCCOC1.
What is the InChIKey of 3-amino-2-methyl-1-(oxan-3-yl)butan-1-one?
The InChIKey is VRDJLDHZYVWTJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-7(8(2)11)10(12)9-4-3-5-13-6-9/h7-9H,3-6,11H2,1-2H3.
What are the key properties of 3-amino-2-methyl-1-(oxan-3-yl)butan-1-one?
3-amino-2-methyl-1-(oxan-3-yl)butan-1-one has a molecular weight of 185.27 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-1-(oxan-3-yl)butan-1-one is sourced from PubChem (CID 107138504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).