[3-(2-methylpropyl)oxetan-3-yl]methanamine

C8H17NO — CID 83479203

IUPAC[3-(2-methylpropyl)oxetan-3-yl]methanamine
SMILESCC(C)CC1(CN)COC1
InChIInChI=1S/C8H17NO/c1-7(2)3-8(4-9)5-10-6-8/h7H,3-6,9H2,1-2H3
InChIKeyRVSPQLBZVFKOIR-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.01
Rot. Bonds3

About [3-(2-methylpropyl)oxetan-3-yl]methanamine

[3-(2-methylpropyl)oxetan-3-yl]methanamine (PubChem CID 83479203) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is [3-(2-methylpropyl)oxetan-3-yl]methanamine.

Molecular Properties

Compound Name[3-(2-methylpropyl)oxetan-3-yl]methanamine
PubChem CID83479203
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name[3-(2-methylpropyl)oxetan-3-yl]methanamine
SMILESCC(C)CC1(CN)COC1
InChIInChI=1S/C8H17NO/c1-7(2)3-8(4-9)5-10-6-8/h7H,3-6,9H2,1-2H3
InChIKeyRVSPQLBZVFKOIR-UHFFFAOYSA-N
XLogP1.01
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 ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [3-(2-methylpropyl)oxetan-3-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-(2-methylpropyl)oxetan-3-yl]methanamine?
The IUPAC name of [3-(2-methylpropyl)oxetan-3-yl]methanamine (CID 83479203) is [3-(2-methylpropyl)oxetan-3-yl]methanamine.
What is the SMILES notation for [3-(2-methylpropyl)oxetan-3-yl]methanamine?
The canonical SMILES for [3-(2-methylpropyl)oxetan-3-yl]methanamine is CC(C)CC1(CN)COC1.
What is the InChIKey of [3-(2-methylpropyl)oxetan-3-yl]methanamine?
The InChIKey is RVSPQLBZVFKOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-7(2)3-8(4-9)5-10-6-8/h7H,3-6,9H2,1-2H3.
What are the key properties of [3-(2-methylpropyl)oxetan-3-yl]methanamine?
[3-(2-methylpropyl)oxetan-3-yl]methanamine has a molecular weight of 143.23 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methylpropyl)oxetan-3-yl]methanamine is sourced from PubChem (CID 83479203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).