2-methyl-1-(oxan-4-yl)azetidine

C9H17NO — CID 135291954

IUPAC2-methyl-1-(oxan-4-yl)azetidine
SMILESCC1CCN1C1CCOCC1
InChIInChI=1S/C9H17NO/c1-8-2-5-10(8)9-3-6-11-7-4-9/h8-9H,2-7H2,1H3
InChIKeyQOYDSZJGNHIJEV-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.26
Rot. Bonds1

About 2-methyl-1-(oxan-4-yl)azetidine

2-methyl-1-(oxan-4-yl)azetidine (PubChem CID 135291954) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 2-methyl-1-(oxan-4-yl)azetidine.

Molecular Properties

Compound Name2-methyl-1-(oxan-4-yl)azetidine
PubChem CID135291954
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name2-methyl-1-(oxan-4-yl)azetidine
SMILESCC1CCN1C1CCOCC1
InChIInChI=1S/C9H17NO/c1-8-2-5-10(8)9-3-6-11-7-4-9/h8-9H,2-7H2,1H3
InChIKeyQOYDSZJGNHIJEV-UHFFFAOYSA-N
XLogP1.26
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

US10214537, Example 169
CID 130331240
3-Fluoro-1-(oxan-4-yl)azetidine
CID 130738541
N-fluoro-N-methyl-1-(oxan-4-yl)azetidin-3-amine
CID 166157699
N-(5-fluoropentyl)-N-propan-2-yloxan-4-amine
CID 121527515
1-(2,6-Dimethyloxan-4-yl)-3-fluoroazetidine
CID 126989688
N-methyl-N-propyloxan-4-amine
CID 9898896
N-ethyl-N-propan-2-yloxan-4-amine
CID 21034314
N-methyl-N-propan-2-yloxan-4-amine
CID 21034323
N,N-di(propan-2-yl)oxan-4-amine
CID 22975544
N-(2,2-dimethylpropyl)-N-methyloxan-4-amine
CID 57845676
1-(Oxan-4-yl)-3-propan-2-ylazetidine
CID 58054331
N-cyclopropyl-N-methyloxan-4-amine
CID 58328002

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(oxan-4-yl)azetidine?
The IUPAC name of 2-methyl-1-(oxan-4-yl)azetidine (CID 135291954) is 2-methyl-1-(oxan-4-yl)azetidine.
What is the SMILES notation for 2-methyl-1-(oxan-4-yl)azetidine?
The canonical SMILES for 2-methyl-1-(oxan-4-yl)azetidine is CC1CCN1C1CCOCC1.
What is the InChIKey of 2-methyl-1-(oxan-4-yl)azetidine?
The InChIKey is QOYDSZJGNHIJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-8-2-5-10(8)9-3-6-11-7-4-9/h8-9H,2-7H2,1H3.
What are the key properties of 2-methyl-1-(oxan-4-yl)azetidine?
2-methyl-1-(oxan-4-yl)azetidine has a molecular weight of 155.24 g/mol, XLogP of 1.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(oxan-4-yl)azetidine is sourced from PubChem (CID 135291954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).