4,5,5-trimethyloxolan-3-amine

C7H15NO — CID 175604561

IUPAC4,5,5-trimethyloxolan-3-amine
SMILESCC1C(N)COC1(C)C
InChIInChI=1S/C7H15NO/c1-5-6(8)4-9-7(5,2)3/h5-6H,4,8H2,1-3H3
InChIKeyQUEFZRBPCBCVMD-UHFFFAOYSA-N
MW129.20 g/mol
LogP0.76
Rot. Bonds

About 4,5,5-trimethyloxolan-3-amine

4,5,5-trimethyloxolan-3-amine (PubChem CID 175604561) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 4,5,5-trimethyloxolan-3-amine.

Molecular Properties

Compound Name4,5,5-trimethyloxolan-3-amine
PubChem CID175604561
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name4,5,5-trimethyloxolan-3-amine
SMILESCC1C(N)COC1(C)C
InChIInChI=1S/C7H15NO/c1-5-6(8)4-9-7(5,2)3/h5-6H,4,8H2,1-3H3
InChIKeyQUEFZRBPCBCVMD-UHFFFAOYSA-N
XLogP0.76
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5,5-trimethyloxolan-3-amine?
The IUPAC name of 4,5,5-trimethyloxolan-3-amine (CID 175604561) is 4,5,5-trimethyloxolan-3-amine.
What is the SMILES notation for 4,5,5-trimethyloxolan-3-amine?
The canonical SMILES for 4,5,5-trimethyloxolan-3-amine is CC1C(N)COC1(C)C.
What is the InChIKey of 4,5,5-trimethyloxolan-3-amine?
The InChIKey is QUEFZRBPCBCVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-5-6(8)4-9-7(5,2)3/h5-6H,4,8H2,1-3H3.
What are the key properties of 4,5,5-trimethyloxolan-3-amine?
4,5,5-trimethyloxolan-3-amine has a molecular weight of 129.20 g/mol, XLogP of 0.76, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,5-trimethyloxolan-3-amine is sourced from PubChem (CID 175604561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).