1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]azetidine

C12H23NO — CID 129036997

IUPAC1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]azetidine
SMILESCC(C)(C)OCC1(CN2CCC2)CC1
InChIInChI=1S/C12H23NO/c1-11(2,3)14-10-12(5-6-12)9-13-7-4-8-13/h4-10H2,1-3H3
InChIKeyFYXMXRHZJHVRKL-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.29
Rot. Bonds4

About 1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]azetidine

1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]azetidine (PubChem CID 129036997) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]azetidine.

Molecular Properties

Compound Name1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]azetidine
PubChem CID129036997
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]azetidine
SMILESCC(C)(C)OCC1(CN2CCC2)CC1
InChIInChI=1S/C12H23NO/c1-11(2,3)14-10-12(5-6-12)9-13-7-4-8-13/h4-10H2,1-3H3
InChIKeyFYXMXRHZJHVRKL-UHFFFAOYSA-N
XLogP2.29
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]azetidine?
The IUPAC name of 1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]azetidine (CID 129036997) is 1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]azetidine.
What is the SMILES notation for 1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]azetidine?
The canonical SMILES for 1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]azetidine is CC(C)(C)OCC1(CN2CCC2)CC1.
What is the InChIKey of 1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]azetidine?
The InChIKey is FYXMXRHZJHVRKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-11(2,3)14-10-12(5-6-12)9-13-7-4-8-13/h4-10H2,1-3H3.
What are the key properties of 1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]azetidine?
1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]azetidine has a molecular weight of 197.32 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]azetidine is sourced from PubChem (CID 129036997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).