Ethane;[1-[[1-(methoxymethyl)cyclopropyl]methyl]azetidin-3-yl]methanol

C12H25NO2 — CID 172348365

IUPACethane;[1-[[1-(methoxymethyl)cyclopropyl]methyl]azetidin-3-yl]methanol
SMILESCC.COCC1(CC1)CN2CC(C2)CO
InChIInChI=1S/C10H19NO2.C2H6/c1-13-8-10(2-3-10)7-11-4-9(5-11)6-12;1-2/h9,12H,2-8H2,1H3;1-2H3
InChIKeyHCQCWQXJFCIXAY-UHFFFAOYSA-N
MW215.33 g/mol
LogP—
Rot. Bonds5

About Ethane;[1-[[1-(methoxymethyl)cyclopropyl]methyl]azetidin-3-yl]methanol

Ethane;[1-[[1-(methoxymethyl)cyclopropyl]methyl]azetidin-3-yl]methanol (PubChem CID 172348365) has the molecular formula C12H25NO2 and a molecular weight of 215.33 g/mol. Its IUPAC name is ethane;[1-[[1-(methoxymethyl)cyclopropyl]methyl]azetidin-3-yl]methanol.

Molecular Properties

Compound NameEthane;[1-[[1-(methoxymethyl)cyclopropyl]methyl]azetidin-3-yl]methanol
PubChem CID172348365
Molecular FormulaC12H25NO2
Molecular Weight215.33 g/mol
Exact Mass215.19
IUPAC Nameethane;[1-[[1-(methoxymethyl)cyclopropyl]methyl]azetidin-3-yl]methanol
SMILESCC.COCC1(CC1)CN2CC(C2)CO
InChIInChI=1S/C10H19NO2.C2H6/c1-13-8-10(2-3-10)7-11-4-9(5-11)6-12;1-2/h9,12H,2-8H2,1H3;1-2H3
InChIKeyHCQCWQXJFCIXAY-UHFFFAOYSA-N
XLogP—
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity174

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of Ethane;[1-[[1-(methoxymethyl)cyclopropyl]methyl]azetidin-3-yl]methanol?
The IUPAC name of Ethane;[1-[[1-(methoxymethyl)cyclopropyl]methyl]azetidin-3-yl]methanol (CID 172348365) is ethane;[1-[[1-(methoxymethyl)cyclopropyl]methyl]azetidin-3-yl]methanol.
What is the SMILES notation for Ethane;[1-[[1-(methoxymethyl)cyclopropyl]methyl]azetidin-3-yl]methanol?
The canonical SMILES for Ethane;[1-[[1-(methoxymethyl)cyclopropyl]methyl]azetidin-3-yl]methanol is CC.COCC1(CC1)CN2CC(C2)CO.
What is the InChIKey of Ethane;[1-[[1-(methoxymethyl)cyclopropyl]methyl]azetidin-3-yl]methanol?
The InChIKey is HCQCWQXJFCIXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2.C2H6/c1-13-8-10(2-3-10)7-11-4-9(5-11)6-12;1-2/h9,12H,2-8H2,1H3;1-2H3.
What are the key properties of Ethane;[1-[[1-(methoxymethyl)cyclopropyl]methyl]azetidin-3-yl]methanol?
Ethane;[1-[[1-(methoxymethyl)cyclopropyl]methyl]azetidin-3-yl]methanol has a molecular weight of 215.33 g/mol, XLogP of not available, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for Ethane;[1-[[1-(methoxymethyl)cyclopropyl]methyl]azetidin-3-yl]methanol is sourced from PubChem (CID 172348365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).