(2S)-1-methyl-2-(propan-2-yloxymethyl)azetidine

C8H17NO — CID 137471109

IUPAC(2S)-1-methyl-2-(propan-2-yloxymethyl)azetidine
SMILESCC(C)OC[C@@H]1CCN1C
InChIInChI=1S/C8H17NO/c1-7(2)10-6-8-4-5-9(8)3/h7-8H,4-6H2,1-3H3/t8-/m0/s1
InChIKeyXPRLCOBKCSSVBE-QMMMGPOBSA-N
MW143.23 g/mol
LogP1.12
Rot. Bonds3

About (2S)-1-methyl-2-(propan-2-yloxymethyl)azetidine

(2S)-1-methyl-2-(propan-2-yloxymethyl)azetidine (PubChem CID 137471109) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is (2S)-1-methyl-2-(propan-2-yloxymethyl)azetidine.

Molecular Properties

Compound Name(2S)-1-methyl-2-(propan-2-yloxymethyl)azetidine
PubChem CID137471109
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name(2S)-1-methyl-2-(propan-2-yloxymethyl)azetidine
SMILESCC(C)OC[C@@H]1CCN1C
InChIInChI=1S/C8H17NO/c1-7(2)10-6-8-4-5-9(8)3/h7-8H,4-6H2,1-3H3/t8-/m0/s1
InChIKeyXPRLCOBKCSSVBE-QMMMGPOBSA-N
XLogP1.12
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-methyl-2-(propan-2-yloxymethyl)azetidine?
The IUPAC name of (2S)-1-methyl-2-(propan-2-yloxymethyl)azetidine (CID 137471109) is (2S)-1-methyl-2-(propan-2-yloxymethyl)azetidine.
What is the SMILES notation for (2S)-1-methyl-2-(propan-2-yloxymethyl)azetidine?
The canonical SMILES for (2S)-1-methyl-2-(propan-2-yloxymethyl)azetidine is CC(C)OC[C@@H]1CCN1C.
What is the InChIKey of (2S)-1-methyl-2-(propan-2-yloxymethyl)azetidine?
The InChIKey is XPRLCOBKCSSVBE-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H17NO/c1-7(2)10-6-8-4-5-9(8)3/h7-8H,4-6H2,1-3H3/t8-/m0/s1.
What are the key properties of (2S)-1-methyl-2-(propan-2-yloxymethyl)azetidine?
(2S)-1-methyl-2-(propan-2-yloxymethyl)azetidine has a molecular weight of 143.23 g/mol, XLogP of 1.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-methyl-2-(propan-2-yloxymethyl)azetidine is sourced from PubChem (CID 137471109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).