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

C8H17NO — CID 175293666

IUPAC2-(oxolan-2-yl)butan-2-amine
SMILESCCC(C)(N)C1CCCO1
InChIInChI=1S/C8H17NO/c1-3-8(2,9)7-5-4-6-10-7/h7H,3-6,9H2,1-2H3
InChIKeyQDEHTTZXWKZFLM-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.29
Rot. Bonds2

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

2-(oxolan-2-yl)butan-2-amine (PubChem CID 175293666) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 2-(oxolan-2-yl)butan-2-amine.

Molecular Properties

Compound Name2-(oxolan-2-yl)butan-2-amine
PubChem CID175293666
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name2-(oxolan-2-yl)butan-2-amine
SMILESCCC(C)(N)C1CCCO1
InChIInChI=1S/C8H17NO/c1-3-8(2,9)7-5-4-6-10-7/h7H,3-6,9H2,1-2H3
InChIKeyQDEHTTZXWKZFLM-UHFFFAOYSA-N
XLogP1.29
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 ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-yl)butan-2-amine?
The IUPAC name of 2-(oxolan-2-yl)butan-2-amine (CID 175293666) is 2-(oxolan-2-yl)butan-2-amine.
What is the SMILES notation for 2-(oxolan-2-yl)butan-2-amine?
The canonical SMILES for 2-(oxolan-2-yl)butan-2-amine is CCC(C)(N)C1CCCO1.
What is the InChIKey of 2-(oxolan-2-yl)butan-2-amine?
The InChIKey is QDEHTTZXWKZFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-3-8(2,9)7-5-4-6-10-7/h7H,3-6,9H2,1-2H3.
What are the key properties of 2-(oxolan-2-yl)butan-2-amine?
2-(oxolan-2-yl)butan-2-amine has a molecular weight of 143.23 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-yl)butan-2-amine is sourced from PubChem (CID 175293666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).