1-methyl-3,3-bis[(2-methylpropan-2-yl)oxymethyl]azetidine

C14H29NO2 — CID 167387398

IUPAC1-methyl-3,3-bis[(2-methylpropan-2-yl)oxymethyl]azetidine
SMILESCN1CC(COC(C)(C)C)(COC(C)(C)C)C1
InChIInChI=1S/C14H29NO2/c1-12(2,3)16-10-14(8-15(7)9-14)11-17-13(4,5)6/h8-11H2,1-7H3
InChIKeyNFGDMOSWWSSHNI-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.55
Rot. Bonds4

About 1-methyl-3,3-bis[(2-methylpropan-2-yl)oxymethyl]azetidine

1-methyl-3,3-bis[(2-methylpropan-2-yl)oxymethyl]azetidine (PubChem CID 167387398) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 1-methyl-3,3-bis[(2-methylpropan-2-yl)oxymethyl]azetidine.

Molecular Properties

Compound Name1-methyl-3,3-bis[(2-methylpropan-2-yl)oxymethyl]azetidine
PubChem CID167387398
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name1-methyl-3,3-bis[(2-methylpropan-2-yl)oxymethyl]azetidine
SMILESCN1CC(COC(C)(C)C)(COC(C)(C)C)C1
InChIInChI=1S/C14H29NO2/c1-12(2,3)16-10-14(8-15(7)9-14)11-17-13(4,5)6/h8-11H2,1-7H3
InChIKeyNFGDMOSWWSSHNI-UHFFFAOYSA-N
XLogP2.55
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3,3-bis[(2-methylpropan-2-yl)oxymethyl]azetidine?
The IUPAC name of 1-methyl-3,3-bis[(2-methylpropan-2-yl)oxymethyl]azetidine (CID 167387398) is 1-methyl-3,3-bis[(2-methylpropan-2-yl)oxymethyl]azetidine.
What is the SMILES notation for 1-methyl-3,3-bis[(2-methylpropan-2-yl)oxymethyl]azetidine?
The canonical SMILES for 1-methyl-3,3-bis[(2-methylpropan-2-yl)oxymethyl]azetidine is CN1CC(COC(C)(C)C)(COC(C)(C)C)C1.
What is the InChIKey of 1-methyl-3,3-bis[(2-methylpropan-2-yl)oxymethyl]azetidine?
The InChIKey is NFGDMOSWWSSHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-12(2,3)16-10-14(8-15(7)9-14)11-17-13(4,5)6/h8-11H2,1-7H3.
What are the key properties of 1-methyl-3,3-bis[(2-methylpropan-2-yl)oxymethyl]azetidine?
1-methyl-3,3-bis[(2-methylpropan-2-yl)oxymethyl]azetidine has a molecular weight of 243.39 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3,3-bis[(2-methylpropan-2-yl)oxymethyl]azetidine is sourced from PubChem (CID 167387398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).