2,2-dimethyl-N-(oxetan-3-yl)oxolan-3-amine

C9H17NO2 — CID 130702884

IUPAC2,2-dimethyl-N-(oxetan-3-yl)oxolan-3-amine
SMILESCC1(C)OCCC1NC1COC1
InChIInChI=1S/C9H17NO2/c1-9(2)8(3-4-12-9)10-7-5-11-6-7/h7-8,10H,3-6H2,1-2H3
InChIKeyILXIVBHYOTZFEA-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.54
Rot. Bonds2

About 2,2-dimethyl-N-(oxetan-3-yl)oxolan-3-amine

2,2-dimethyl-N-(oxetan-3-yl)oxolan-3-amine (PubChem CID 130702884) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 2,2-dimethyl-N-(oxetan-3-yl)oxolan-3-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-(oxetan-3-yl)oxolan-3-amine
PubChem CID130702884
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name2,2-dimethyl-N-(oxetan-3-yl)oxolan-3-amine
SMILESCC1(C)OCCC1NC1COC1
InChIInChI=1S/C9H17NO2/c1-9(2)8(3-4-12-9)10-7-5-11-6-7/h7-8,10H,3-6H2,1-2H3
InChIKeyILXIVBHYOTZFEA-UHFFFAOYSA-N
XLogP0.54
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(oxetan-3-yl)oxolan-3-amine?
The IUPAC name of 2,2-dimethyl-N-(oxetan-3-yl)oxolan-3-amine (CID 130702884) is 2,2-dimethyl-N-(oxetan-3-yl)oxolan-3-amine.
What is the SMILES notation for 2,2-dimethyl-N-(oxetan-3-yl)oxolan-3-amine?
The canonical SMILES for 2,2-dimethyl-N-(oxetan-3-yl)oxolan-3-amine is CC1(C)OCCC1NC1COC1.
What is the InChIKey of 2,2-dimethyl-N-(oxetan-3-yl)oxolan-3-amine?
The InChIKey is ILXIVBHYOTZFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-9(2)8(3-4-12-9)10-7-5-11-6-7/h7-8,10H,3-6H2,1-2H3.
What are the key properties of 2,2-dimethyl-N-(oxetan-3-yl)oxolan-3-amine?
2,2-dimethyl-N-(oxetan-3-yl)oxolan-3-amine has a molecular weight of 171.24 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(oxetan-3-yl)oxolan-3-amine is sourced from PubChem (CID 130702884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).