3-amino-1-(oxan-3-yl)pentan-1-one

C10H19NO2 — CID 107138494

IUPAC3-amino-1-(oxan-3-yl)pentan-1-one
SMILESCCC(N)CC(=O)C1CCCOC1
InChIInChI=1S/C10H19NO2/c1-2-9(11)6-10(12)8-4-3-5-13-7-8/h8-9H,2-7,11H2,1H3
InChIKeyAOQQVOGPKIZPIQ-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.11
Rot. Bonds4

About 3-amino-1-(oxan-3-yl)pentan-1-one

3-amino-1-(oxan-3-yl)pentan-1-one (PubChem CID 107138494) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 3-amino-1-(oxan-3-yl)pentan-1-one.

Molecular Properties

Compound Name3-amino-1-(oxan-3-yl)pentan-1-one
PubChem CID107138494
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name3-amino-1-(oxan-3-yl)pentan-1-one
SMILESCCC(N)CC(=O)C1CCCOC1
InChIInChI=1S/C10H19NO2/c1-2-9(11)6-10(12)8-4-3-5-13-7-8/h8-9H,2-7,11H2,1H3
InChIKeyAOQQVOGPKIZPIQ-UHFFFAOYSA-N
XLogP1.11
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 ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(oxan-3-yl)pentan-1-one?
The IUPAC name of 3-amino-1-(oxan-3-yl)pentan-1-one (CID 107138494) is 3-amino-1-(oxan-3-yl)pentan-1-one.
What is the SMILES notation for 3-amino-1-(oxan-3-yl)pentan-1-one?
The canonical SMILES for 3-amino-1-(oxan-3-yl)pentan-1-one is CCC(N)CC(=O)C1CCCOC1.
What is the InChIKey of 3-amino-1-(oxan-3-yl)pentan-1-one?
The InChIKey is AOQQVOGPKIZPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-2-9(11)6-10(12)8-4-3-5-13-7-8/h8-9H,2-7,11H2,1H3.
What are the key properties of 3-amino-1-(oxan-3-yl)pentan-1-one?
3-amino-1-(oxan-3-yl)pentan-1-one has a molecular weight of 185.27 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(oxan-3-yl)pentan-1-one is sourced from PubChem (CID 107138494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).