4,5-dimethyloxolan-2-amine

C6H13NO — CID 123752926

IUPAC4,5-dimethyloxolan-2-amine
SMILESCC1CC(N)OC1C
InChIInChI=1S/C6H13NO/c1-4-3-6(7)8-5(4)2/h4-6H,3,7H2,1-2H3
InChIKeyIHXFZEOYHNNZBW-UHFFFAOYSA-N
MW115.18 g/mol
LogP0.72
Rot. Bonds

About 4,5-dimethyloxolan-2-amine

4,5-dimethyloxolan-2-amine (PubChem CID 123752926) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is 4,5-dimethyloxolan-2-amine.

Molecular Properties

Compound Name4,5-dimethyloxolan-2-amine
PubChem CID123752926
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name4,5-dimethyloxolan-2-amine
SMILESCC1CC(N)OC1C
InChIInChI=1S/C6H13NO/c1-4-3-6(7)8-5(4)2/h4-6H,3,7H2,1-2H3
InChIKeyIHXFZEOYHNNZBW-UHFFFAOYSA-N
XLogP0.72
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyloxolan-2-amine?
The IUPAC name of 4,5-dimethyloxolan-2-amine (CID 123752926) is 4,5-dimethyloxolan-2-amine.
What is the SMILES notation for 4,5-dimethyloxolan-2-amine?
The canonical SMILES for 4,5-dimethyloxolan-2-amine is CC1CC(N)OC1C.
What is the InChIKey of 4,5-dimethyloxolan-2-amine?
The InChIKey is IHXFZEOYHNNZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-4-3-6(7)8-5(4)2/h4-6H,3,7H2,1-2H3.
What are the key properties of 4,5-dimethyloxolan-2-amine?
4,5-dimethyloxolan-2-amine has a molecular weight of 115.18 g/mol, XLogP of 0.72, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyloxolan-2-amine is sourced from PubChem (CID 123752926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).