4-amino-3-methyl-1-(oxan-4-yl)butan-2-one

C10H19NO2 — CID 116564545

IUPAC4-amino-3-methyl-1-(oxan-4-yl)butan-2-one
SMILESCC(CN)C(=O)CC1CCOCC1
InChIInChI=1S/C10H19NO2/c1-8(7-11)10(12)6-9-2-4-13-5-3-9/h8-9H,2-7,11H2,1H3
InChIKeyAXLAARILCPLMLM-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.97
Rot. Bonds4

About 4-amino-3-methyl-1-(oxan-4-yl)butan-2-one

4-amino-3-methyl-1-(oxan-4-yl)butan-2-one (PubChem CID 116564545) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 4-amino-3-methyl-1-(oxan-4-yl)butan-2-one.

Molecular Properties

Compound Name4-amino-3-methyl-1-(oxan-4-yl)butan-2-one
PubChem CID116564545
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name4-amino-3-methyl-1-(oxan-4-yl)butan-2-one
SMILESCC(CN)C(=O)CC1CCOCC1
InChIInChI=1S/C10H19NO2/c1-8(7-11)10(12)6-9-2-4-13-5-3-9/h8-9H,2-7,11H2,1H3
InChIKeyAXLAARILCPLMLM-UHFFFAOYSA-N
XLogP0.97
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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 4-amino-3-methyl-1-(oxan-4-yl)butan-2-one?
The IUPAC name of 4-amino-3-methyl-1-(oxan-4-yl)butan-2-one (CID 116564545) is 4-amino-3-methyl-1-(oxan-4-yl)butan-2-one.
What is the SMILES notation for 4-amino-3-methyl-1-(oxan-4-yl)butan-2-one?
The canonical SMILES for 4-amino-3-methyl-1-(oxan-4-yl)butan-2-one is CC(CN)C(=O)CC1CCOCC1.
What is the InChIKey of 4-amino-3-methyl-1-(oxan-4-yl)butan-2-one?
The InChIKey is AXLAARILCPLMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-8(7-11)10(12)6-9-2-4-13-5-3-9/h8-9H,2-7,11H2,1H3.
What are the key properties of 4-amino-3-methyl-1-(oxan-4-yl)butan-2-one?
4-amino-3-methyl-1-(oxan-4-yl)butan-2-one has a molecular weight of 185.27 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methyl-1-(oxan-4-yl)butan-2-one is sourced from PubChem (CID 116564545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).