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

C8H17NO — CID 64504567

IUPAC4-(oxolan-3-yl)butan-2-amine
SMILESCC(N)CCC1CCOC1
InChIInChI=1S/C8H17NO/c1-7(9)2-3-8-4-5-10-6-8/h7-8H,2-6,9H2,1H3
InChIKeyGIQIZKXXFDMZLO-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.15
Rot. Bonds3

About 4-(oxolan-3-yl)butan-2-amine

4-(oxolan-3-yl)butan-2-amine (PubChem CID 64504567) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 4-(oxolan-3-yl)butan-2-amine.

Molecular Properties

Compound Name4-(oxolan-3-yl)butan-2-amine
PubChem CID64504567
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name4-(oxolan-3-yl)butan-2-amine
SMILESCC(N)CCC1CCOC1
InChIInChI=1S/C8H17NO/c1-7(9)2-3-8-4-5-10-6-8/h7-8H,2-6,9H2,1H3
InChIKeyGIQIZKXXFDMZLO-UHFFFAOYSA-N
XLogP1.15
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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 4-(oxolan-3-yl)butan-2-amine?
The IUPAC name of 4-(oxolan-3-yl)butan-2-amine (CID 64504567) is 4-(oxolan-3-yl)butan-2-amine.
What is the SMILES notation for 4-(oxolan-3-yl)butan-2-amine?
The canonical SMILES for 4-(oxolan-3-yl)butan-2-amine is CC(N)CCC1CCOC1.
What is the InChIKey of 4-(oxolan-3-yl)butan-2-amine?
The InChIKey is GIQIZKXXFDMZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-7(9)2-3-8-4-5-10-6-8/h7-8H,2-6,9H2,1H3.
What are the key properties of 4-(oxolan-3-yl)butan-2-amine?
4-(oxolan-3-yl)butan-2-amine has a molecular weight of 143.23 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-3-yl)butan-2-amine is sourced from PubChem (CID 64504567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).