1-(oxan-4-ylmethyl)-2-propan-2-ylazetidine

C12H23NO — CID 89001203

IUPAC1-(oxan-4-ylmethyl)-2-propan-2-ylazetidine
SMILESCC(C)C1CCN1CC1CCOCC1
InChIInChI=1S/C12H23NO/c1-10(2)12-3-6-13(12)9-11-4-7-14-8-5-11/h10-12H,3-9H2,1-2H3
InChIKeyGGMQLXAEEWBHDP-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.14
Rot. Bonds3

About 1-(oxan-4-ylmethyl)-2-propan-2-ylazetidine

1-(oxan-4-ylmethyl)-2-propan-2-ylazetidine (PubChem CID 89001203) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 1-(oxan-4-ylmethyl)-2-propan-2-ylazetidine.

Molecular Properties

Compound Name1-(oxan-4-ylmethyl)-2-propan-2-ylazetidine
PubChem CID89001203
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name1-(oxan-4-ylmethyl)-2-propan-2-ylazetidine
SMILESCC(C)C1CCN1CC1CCOCC1
InChIInChI=1S/C12H23NO/c1-10(2)12-3-6-13(12)9-11-4-7-14-8-5-11/h10-12H,3-9H2,1-2H3
InChIKeyGGMQLXAEEWBHDP-UHFFFAOYSA-N
XLogP2.14
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-ylmethyl)-2-propan-2-ylazetidine?
The IUPAC name of 1-(oxan-4-ylmethyl)-2-propan-2-ylazetidine (CID 89001203) is 1-(oxan-4-ylmethyl)-2-propan-2-ylazetidine.
What is the SMILES notation for 1-(oxan-4-ylmethyl)-2-propan-2-ylazetidine?
The canonical SMILES for 1-(oxan-4-ylmethyl)-2-propan-2-ylazetidine is CC(C)C1CCN1CC1CCOCC1.
What is the InChIKey of 1-(oxan-4-ylmethyl)-2-propan-2-ylazetidine?
The InChIKey is GGMQLXAEEWBHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-10(2)12-3-6-13(12)9-11-4-7-14-8-5-11/h10-12H,3-9H2,1-2H3.
What are the key properties of 1-(oxan-4-ylmethyl)-2-propan-2-ylazetidine?
1-(oxan-4-ylmethyl)-2-propan-2-ylazetidine has a molecular weight of 197.32 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-ylmethyl)-2-propan-2-ylazetidine is sourced from PubChem (CID 89001203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).