2-propan-2-yloxolan-3-amine

C7H15NO — CID 79371421

IUPAC2-propan-2-yloxolan-3-amine
SMILESCC(C)C1OCCC1N
InChIInChI=1S/C7H15NO/c1-5(2)7-6(8)3-4-9-7/h5-7H,3-4,8H2,1-2H3
InChIKeyCSNMUDXUODGYCJ-UHFFFAOYSA-N
MW129.20 g/mol
LogP0.76
Rot. Bonds1

About 2-propan-2-yloxolan-3-amine

2-propan-2-yloxolan-3-amine (PubChem CID 79371421) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 2-propan-2-yloxolan-3-amine.

Molecular Properties

Compound Name2-propan-2-yloxolan-3-amine
PubChem CID79371421
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name2-propan-2-yloxolan-3-amine
SMILESCC(C)C1OCCC1N
InChIInChI=1S/C7H15NO/c1-5(2)7-6(8)3-4-9-7/h5-7H,3-4,8H2,1-2H3
InChIKeyCSNMUDXUODGYCJ-UHFFFAOYSA-N
XLogP0.76
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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 2-propan-2-yloxolan-3-amine?
The IUPAC name of 2-propan-2-yloxolan-3-amine (CID 79371421) is 2-propan-2-yloxolan-3-amine.
What is the SMILES notation for 2-propan-2-yloxolan-3-amine?
The canonical SMILES for 2-propan-2-yloxolan-3-amine is CC(C)C1OCCC1N.
What is the InChIKey of 2-propan-2-yloxolan-3-amine?
The InChIKey is CSNMUDXUODGYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-5(2)7-6(8)3-4-9-7/h5-7H,3-4,8H2,1-2H3.
What are the key properties of 2-propan-2-yloxolan-3-amine?
2-propan-2-yloxolan-3-amine has a molecular weight of 129.20 g/mol, XLogP of 0.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxolan-3-amine is sourced from PubChem (CID 79371421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).