2,2-dimethyloxolan-3-amine

C6H13NO — CID 59657974

IUPAC2,2-dimethyloxolan-3-amine
SMILESCC1(C)OCCC1N
InChIInChI=1S/C6H13NO/c1-6(2)5(7)3-4-8-6/h5H,3-4,7H2,1-2H3
InChIKeyOFBKKJZMUHQYIN-UHFFFAOYSA-N
MW115.18 g/mol
LogP0.51
Rot. Bonds

About 2,2-dimethyloxolan-3-amine

2,2-dimethyloxolan-3-amine (PubChem CID 59657974) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is 2,2-dimethyloxolan-3-amine.

Molecular Properties

Compound Name2,2-dimethyloxolan-3-amine
PubChem CID59657974
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name2,2-dimethyloxolan-3-amine
SMILESCC1(C)OCCC1N
InChIInChI=1S/C6H13NO/c1-6(2)5(7)3-4-8-6/h5H,3-4,7H2,1-2H3
InChIKeyOFBKKJZMUHQYIN-UHFFFAOYSA-N
XLogP0.51
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 ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyloxolan-3-amine?
The IUPAC name of 2,2-dimethyloxolan-3-amine (CID 59657974) is 2,2-dimethyloxolan-3-amine.
What is the SMILES notation for 2,2-dimethyloxolan-3-amine?
The canonical SMILES for 2,2-dimethyloxolan-3-amine is CC1(C)OCCC1N.
What is the InChIKey of 2,2-dimethyloxolan-3-amine?
The InChIKey is OFBKKJZMUHQYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-6(2)5(7)3-4-8-6/h5H,3-4,7H2,1-2H3.
What are the key properties of 2,2-dimethyloxolan-3-amine?
2,2-dimethyloxolan-3-amine has a molecular weight of 115.18 g/mol, XLogP of 0.51, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyloxolan-3-amine is sourced from PubChem (CID 59657974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).