ethane;1-[[1-(methoxymethyl)cyclopropyl]methyl]azetidine

C11H23NO — CID 164878995

IUPACethane;1-[[1-(methoxymethyl)cyclopropyl]methyl]azetidine
SMILESCC.COCC1(CN2CCC2)CC1
InChIInChI=1S/C9H17NO.C2H6/c1-11-8-9(3-4-9)7-10-5-2-6-10;1-2/h2-8H2,1H3;1-2H3
InChIKeyYBYGOFZAKBYZLT-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.14
Rot. Bonds4

About ethane;1-[[1-(methoxymethyl)cyclopropyl]methyl]azetidine

ethane;1-[[1-(methoxymethyl)cyclopropyl]methyl]azetidine (PubChem CID 164878995) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is ethane;1-[[1-(methoxymethyl)cyclopropyl]methyl]azetidine.

Molecular Properties

Compound Nameethane;1-[[1-(methoxymethyl)cyclopropyl]methyl]azetidine
PubChem CID164878995
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Nameethane;1-[[1-(methoxymethyl)cyclopropyl]methyl]azetidine
SMILESCC.COCC1(CN2CCC2)CC1
InChIInChI=1S/C9H17NO.C2H6/c1-11-8-9(3-4-9)7-10-5-2-6-10;1-2/h2-8H2,1H3;1-2H3
InChIKeyYBYGOFZAKBYZLT-UHFFFAOYSA-N
XLogP2.14
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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-(Azetidin-1-ylmethyl)cyclopropyl]methyl hypofluorite
CID 166533231
(2R)-2-fluoro-N-[[1-(methoxymethyl)cyclopropyl]methyl]-N-methylbutan-1-amine
CID 167216525
3-Fluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]azetidine
CID 169658913
[1-[[Ethyl(propyl)amino]methyl]cyclopropyl]methyl hypofluorite
CID 170772014
3-(Fluoromethyl)-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]azetidine
CID 172348369
3-(Fluoromethyl)-1-[[1-(methoxymethyl)cyclopropyl]methyl]azetidine
CID 172349323
2-(Fluoromethyl)-1-[[1-(methoxymethyl)cyclopropyl]methyl]azetidine
CID 172350489
1-[[(1R)-2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]azetidine
CID 172588089
3,3-Difluoro-1-[[1-(methoxymethyl)cyclopropyl]methyl]azetidine
CID 178012487
6-Butyl-2-oxa-6-azaspiro[3.3]heptane
CID 13778350
1-(3,3-Dimethylbutyl)-3-(2,2-dimethylpropoxymethyl)azetidine
CID 58371688
1-(3-Methylbutyl)-3-(2-methylpropoxymethyl)azetidine
CID 58371730

Frequently Asked Questions

What is the IUPAC name of ethane;1-[[1-(methoxymethyl)cyclopropyl]methyl]azetidine?
The IUPAC name of ethane;1-[[1-(methoxymethyl)cyclopropyl]methyl]azetidine (CID 164878995) is ethane;1-[[1-(methoxymethyl)cyclopropyl]methyl]azetidine.
What is the SMILES notation for ethane;1-[[1-(methoxymethyl)cyclopropyl]methyl]azetidine?
The canonical SMILES for ethane;1-[[1-(methoxymethyl)cyclopropyl]methyl]azetidine is CC.COCC1(CN2CCC2)CC1.
What is the InChIKey of ethane;1-[[1-(methoxymethyl)cyclopropyl]methyl]azetidine?
The InChIKey is YBYGOFZAKBYZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO.C2H6/c1-11-8-9(3-4-9)7-10-5-2-6-10;1-2/h2-8H2,1H3;1-2H3.
What are the key properties of ethane;1-[[1-(methoxymethyl)cyclopropyl]methyl]azetidine?
ethane;1-[[1-(methoxymethyl)cyclopropyl]methyl]azetidine has a molecular weight of 185.31 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[[1-(methoxymethyl)cyclopropyl]methyl]azetidine is sourced from PubChem (CID 164878995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).