2-(2-methylpropoxymethyl)-1-propan-2-ylazetidine

C11H23NO — CID 155088178

IUPAC2-(2-methylpropoxymethyl)-1-propan-2-ylazetidine
SMILESCC(C)COCC1CCN1C(C)C
InChIInChI=1S/C11H23NO/c1-9(2)7-13-8-11-5-6-12(11)10(3)4/h9-11H,5-8H2,1-4H3
InChIKeyPPNYEDBBGWMVOC-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.14
Rot. Bonds5

About 2-(2-methylpropoxymethyl)-1-propan-2-ylazetidine

2-(2-methylpropoxymethyl)-1-propan-2-ylazetidine (PubChem CID 155088178) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 2-(2-methylpropoxymethyl)-1-propan-2-ylazetidine.

Molecular Properties

Compound Name2-(2-methylpropoxymethyl)-1-propan-2-ylazetidine
PubChem CID155088178
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name2-(2-methylpropoxymethyl)-1-propan-2-ylazetidine
SMILESCC(C)COCC1CCN1C(C)C
InChIInChI=1S/C11H23NO/c1-9(2)7-13-8-11-5-6-12(11)10(3)4/h9-11H,5-8H2,1-4H3
InChIKeyPPNYEDBBGWMVOC-UHFFFAOYSA-N
XLogP2.14
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1-propan-2-ylazetidin-2-yl)methyl hypoiodite
CID 176946794
3-methyl-4-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]butan-2-one
CID 170366481
(1-propan-2-ylazetidin-2-yl)methyl carbamate
CID 175128148
2-ethyl-1-propan-2-ylazetidine;propane
CID 163256433
1,2-bis(2-methylpropoxymethyl)cyclopentane
CID 90987862
(2R)-1-propan-2-yl-2-propylazetidine
CID 167386397
1-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]butan-2-one
CID 174163970
4-methyl-1-[(1-propan-2-ylpiperidin-2-yl)methoxy]pentan-3-one
CID 167242279
6-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]hexanoic acid
CID 174164475
[(2S)-1-propan-2-ylpyrrolidin-2-yl]methyl acetate
CID 164547816
(2S)-2-(2-methylpropyl)-1-propan-2-ylpiperidine
CID 167138611
(4-methyl-1-propan-2-ylpiperidin-2-yl)methanamine
CID 103440582

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropoxymethyl)-1-propan-2-ylazetidine?
The IUPAC name of 2-(2-methylpropoxymethyl)-1-propan-2-ylazetidine (CID 155088178) is 2-(2-methylpropoxymethyl)-1-propan-2-ylazetidine.
What is the SMILES notation for 2-(2-methylpropoxymethyl)-1-propan-2-ylazetidine?
The canonical SMILES for 2-(2-methylpropoxymethyl)-1-propan-2-ylazetidine is CC(C)COCC1CCN1C(C)C.
What is the InChIKey of 2-(2-methylpropoxymethyl)-1-propan-2-ylazetidine?
The InChIKey is PPNYEDBBGWMVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-9(2)7-13-8-11-5-6-12(11)10(3)4/h9-11H,5-8H2,1-4H3.
What are the key properties of 2-(2-methylpropoxymethyl)-1-propan-2-ylazetidine?
2-(2-methylpropoxymethyl)-1-propan-2-ylazetidine has a molecular weight of 185.31 g/mol, XLogP of 2.14, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropoxymethyl)-1-propan-2-ylazetidine is sourced from PubChem (CID 155088178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).