3-pentan-2-yloxyazetidine

C8H17NO — CID 102981936

IUPAC3-pentan-2-yloxyazetidine
SMILESCCCC(C)OC1CNC1
InChIInChI=1S/C8H17NO/c1-3-4-7(2)10-8-5-9-6-8/h7-9H,3-6H2,1-2H3
InChIKeyQYRDSSKOWCDLCT-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.16
Rot. Bonds4

About 3-pentan-2-yloxyazetidine

3-pentan-2-yloxyazetidine (PubChem CID 102981936) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 3-pentan-2-yloxyazetidine.

Molecular Properties

Compound Name3-pentan-2-yloxyazetidine
PubChem CID102981936
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name3-pentan-2-yloxyazetidine
SMILESCCCC(C)OC1CNC1
InChIInChI=1S/C8H17NO/c1-3-4-7(2)10-8-5-9-6-8/h7-9H,3-6H2,1-2H3
InChIKeyQYRDSSKOWCDLCT-UHFFFAOYSA-N
XLogP1.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-pentan-2-yloxyazetidine with MolForge

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

Launch Full Analysis

Related Compounds

(4R)-4-[(2S)-pentan-2-yl]oxypyrrolidin-2-one
CID 57229408
N-ethyl-3-pentan-2-yloxycyclobutan-1-amine
CID 102988766
4-(azetidin-3-yloxy)-2,2-dimethylpentanenitrile
CID 165492872
pentan-2-yl 2-(azetidin-3-yl)propanoate
CID 102982642
1-heptan-2-yloxy-4-methylcyclohexane
CID 71132789
1-butan-2-yl-3-pentan-2-yloxycyclohexane
CID 123995677
4-butan-2-yloxypiperidine
CID 43346315
3-ethoxyazetidine
CID 22507733
3-(2-methylpropoxy)azetidine;hydrochloride
CID 67154547
1-bromo-2-pentan-2-yloxycyclopentane
CID 102984522
(3S)-3-(2-methylpentoxy)piperidine
CID 66247189
3-(6-methylheptoxy)azetidine
CID 165499663

Frequently Asked Questions

What is the IUPAC name of 3-pentan-2-yloxyazetidine?
The IUPAC name of 3-pentan-2-yloxyazetidine (CID 102981936) is 3-pentan-2-yloxyazetidine.
What is the SMILES notation for 3-pentan-2-yloxyazetidine?
The canonical SMILES for 3-pentan-2-yloxyazetidine is CCCC(C)OC1CNC1.
What is the InChIKey of 3-pentan-2-yloxyazetidine?
The InChIKey is QYRDSSKOWCDLCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-3-4-7(2)10-8-5-9-6-8/h7-9H,3-6H2,1-2H3.
What are the key properties of 3-pentan-2-yloxyazetidine?
3-pentan-2-yloxyazetidine has a molecular weight of 143.23 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentan-2-yloxyazetidine is sourced from PubChem (CID 102981936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).