3-(oxolan-2-yl)butan-2-amine

C8H17NO — CID 130577762

IUPAC3-(oxolan-2-yl)butan-2-amine
SMILESCC(N)C(C)C1CCCO1
InChIInChI=1S/C8H17NO/c1-6(7(2)9)8-4-3-5-10-8/h6-8H,3-5,9H2,1-2H3
InChIKeyHZLADAYKQFHBQP-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.15
Rot. Bonds2

About 3-(oxolan-2-yl)butan-2-amine

3-(oxolan-2-yl)butan-2-amine (PubChem CID 130577762) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 3-(oxolan-2-yl)butan-2-amine.

Molecular Properties

Compound Name3-(oxolan-2-yl)butan-2-amine
PubChem CID130577762
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name3-(oxolan-2-yl)butan-2-amine
SMILESCC(N)C(C)C1CCCO1
InChIInChI=1S/C8H17NO/c1-6(7(2)9)8-4-3-5-10-8/h6-8H,3-5,9H2,1-2H3
InChIKeyHZLADAYKQFHBQP-UHFFFAOYSA-N
XLogP1.15
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-2-yl)butan-2-amine?
The IUPAC name of 3-(oxolan-2-yl)butan-2-amine (CID 130577762) is 3-(oxolan-2-yl)butan-2-amine.
What is the SMILES notation for 3-(oxolan-2-yl)butan-2-amine?
The canonical SMILES for 3-(oxolan-2-yl)butan-2-amine is CC(N)C(C)C1CCCO1.
What is the InChIKey of 3-(oxolan-2-yl)butan-2-amine?
The InChIKey is HZLADAYKQFHBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-6(7(2)9)8-4-3-5-10-8/h6-8H,3-5,9H2,1-2H3.
What are the key properties of 3-(oxolan-2-yl)butan-2-amine?
3-(oxolan-2-yl)butan-2-amine has a molecular weight of 143.23 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-2-yl)butan-2-amine is sourced from PubChem (CID 130577762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).