2-butan-2-yl-4,5-dimethyloxolan-3-amine

C10H21NO — CID 59025329

IUPAC2-butan-2-yl-4,5-dimethyloxolan-3-amine
SMILESCCC(C)C1OC(C)C(C)C1N
InChIInChI=1S/C10H21NO/c1-5-6(2)10-9(11)7(3)8(4)12-10/h6-10H,5,11H2,1-4H3
InChIKeyFXWWSXMIBXNPLN-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.78
Rot. Bonds2

About 2-butan-2-yl-4,5-dimethyloxolan-3-amine

2-butan-2-yl-4,5-dimethyloxolan-3-amine (PubChem CID 59025329) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 2-butan-2-yl-4,5-dimethyloxolan-3-amine.

Molecular Properties

Compound Name2-butan-2-yl-4,5-dimethyloxolan-3-amine
PubChem CID59025329
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name2-butan-2-yl-4,5-dimethyloxolan-3-amine
SMILESCCC(C)C1OC(C)C(C)C1N
InChIInChI=1S/C10H21NO/c1-5-6(2)10-9(11)7(3)8(4)12-10/h6-10H,5,11H2,1-4H3
InChIKeyFXWWSXMIBXNPLN-UHFFFAOYSA-N
XLogP1.78
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-4,5-dimethyloxolan-3-amine?
The IUPAC name of 2-butan-2-yl-4,5-dimethyloxolan-3-amine (CID 59025329) is 2-butan-2-yl-4,5-dimethyloxolan-3-amine.
What is the SMILES notation for 2-butan-2-yl-4,5-dimethyloxolan-3-amine?
The canonical SMILES for 2-butan-2-yl-4,5-dimethyloxolan-3-amine is CCC(C)C1OC(C)C(C)C1N.
What is the InChIKey of 2-butan-2-yl-4,5-dimethyloxolan-3-amine?
The InChIKey is FXWWSXMIBXNPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-5-6(2)10-9(11)7(3)8(4)12-10/h6-10H,5,11H2,1-4H3.
What are the key properties of 2-butan-2-yl-4,5-dimethyloxolan-3-amine?
2-butan-2-yl-4,5-dimethyloxolan-3-amine has a molecular weight of 171.28 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-4,5-dimethyloxolan-3-amine is sourced from PubChem (CID 59025329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).