1-(oxan-3-yl)-2-(propan-2-ylamino)ethanone

C10H19NO2 — CID 107138307

IUPAC1-(oxan-3-yl)-2-(propan-2-ylamino)ethanone
SMILESCC(C)NCC(=O)C1CCCOC1
InChIInChI=1S/C10H19NO2/c1-8(2)11-6-10(12)9-4-3-5-13-7-9/h8-9,11H,3-7H2,1-2H3
InChIKeyCWYCUPXLEICCGA-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.98
Rot. Bonds4

About 1-(oxan-3-yl)-2-(propan-2-ylamino)ethanone

1-(oxan-3-yl)-2-(propan-2-ylamino)ethanone (PubChem CID 107138307) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-(oxan-3-yl)-2-(propan-2-ylamino)ethanone.

Molecular Properties

Compound Name1-(oxan-3-yl)-2-(propan-2-ylamino)ethanone
PubChem CID107138307
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name1-(oxan-3-yl)-2-(propan-2-ylamino)ethanone
SMILESCC(C)NCC(=O)C1CCCOC1
InChIInChI=1S/C10H19NO2/c1-8(2)11-6-10(12)9-4-3-5-13-7-9/h8-9,11H,3-7H2,1-2H3
InChIKeyCWYCUPXLEICCGA-UHFFFAOYSA-N
XLogP0.98
TPSA38.33 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 ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-3-yl)-2-(propan-2-ylamino)ethanone?
The IUPAC name of 1-(oxan-3-yl)-2-(propan-2-ylamino)ethanone (CID 107138307) is 1-(oxan-3-yl)-2-(propan-2-ylamino)ethanone.
What is the SMILES notation for 1-(oxan-3-yl)-2-(propan-2-ylamino)ethanone?
The canonical SMILES for 1-(oxan-3-yl)-2-(propan-2-ylamino)ethanone is CC(C)NCC(=O)C1CCCOC1.
What is the InChIKey of 1-(oxan-3-yl)-2-(propan-2-ylamino)ethanone?
The InChIKey is CWYCUPXLEICCGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-8(2)11-6-10(12)9-4-3-5-13-7-9/h8-9,11H,3-7H2,1-2H3.
What are the key properties of 1-(oxan-3-yl)-2-(propan-2-ylamino)ethanone?
1-(oxan-3-yl)-2-(propan-2-ylamino)ethanone has a molecular weight of 185.27 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-3-yl)-2-(propan-2-ylamino)ethanone is sourced from PubChem (CID 107138307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).