ethane;1-[2-(methoxymethyl)azetidin-2-yl]-N-methylmethanamine

C9H22N2O — CID 177172991

IUPACethane;1-[2-(methoxymethyl)azetidin-2-yl]-N-methylmethanamine
SMILESCC.CNCC1(COC)CCN1
InChIInChI=1S/C7H16N2O.C2H6/c1-8-5-7(6-10-2)3-4-9-7;1-2/h8-9H,3-6H2,1-2H3;1-2H3
InChIKeyRXVUSJDGLUVZGW-UHFFFAOYSA-N
MW174.29 g/mol
LogP0.61
Rot. Bonds4

About ethane;1-[2-(methoxymethyl)azetidin-2-yl]-N-methylmethanamine

ethane;1-[2-(methoxymethyl)azetidin-2-yl]-N-methylmethanamine (PubChem CID 177172991) has the molecular formula C9H22N2O and a molecular weight of 174.29 g/mol. Its IUPAC name is ethane;1-[2-(methoxymethyl)azetidin-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Nameethane;1-[2-(methoxymethyl)azetidin-2-yl]-N-methylmethanamine
PubChem CID177172991
Molecular FormulaC9H22N2O
Molecular Weight174.29 g/mol
Exact Mass174.17
IUPAC Nameethane;1-[2-(methoxymethyl)azetidin-2-yl]-N-methylmethanamine
SMILESCC.CNCC1(COC)CCN1
InChIInChI=1S/C7H16N2O.C2H6/c1-8-5-7(6-10-2)3-4-9-7;1-2/h8-9H,3-6H2,1-2H3;1-2H3
InChIKeyRXVUSJDGLUVZGW-UHFFFAOYSA-N
XLogP0.61
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Methoxymethyl)-2-methylazetidine
CID 65804434
3-(aminomethyl)-N-ethyloxolan-3-amine
CID 63335836
3-ethyl-N-propyloxetan-3-amine
CID 89412243
8-Oxa-2,5-diazaspiro[3.6]decane
CID 118209721
10-Oxa-2,5-diazaspiro[3.7]undecane
CID 118210034
10-Oxa-1,6-diazaspiro[3.7]undecane
CID 118210293
9-Oxa-1,6-diazaspiro[3.6]decane
CID 118210758
1-tert-butyl-N-(2-methoxyethyl)azetidin-3-amine
CID 118295605
3-(methoxymethyl)-N,1-dimethylazetidin-3-amine
CID 137468375
6-Methyl-2-oxa-6-azaspiro[3.3]heptane;6-oxa-1-azaspiro[3.3]heptane
CID 144581863
3-(ethylaminomethyl)-N,N-dimethyloxetan-3-amine
CID 144806986
(2R)-2-(methoxymethyl)-2-methylazetidine
CID 148869488

Frequently Asked Questions

What is the IUPAC name of ethane;1-[2-(methoxymethyl)azetidin-2-yl]-N-methylmethanamine?
The IUPAC name of ethane;1-[2-(methoxymethyl)azetidin-2-yl]-N-methylmethanamine (CID 177172991) is ethane;1-[2-(methoxymethyl)azetidin-2-yl]-N-methylmethanamine.
What is the SMILES notation for ethane;1-[2-(methoxymethyl)azetidin-2-yl]-N-methylmethanamine?
The canonical SMILES for ethane;1-[2-(methoxymethyl)azetidin-2-yl]-N-methylmethanamine is CC.CNCC1(COC)CCN1.
What is the InChIKey of ethane;1-[2-(methoxymethyl)azetidin-2-yl]-N-methylmethanamine?
The InChIKey is RXVUSJDGLUVZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O.C2H6/c1-8-5-7(6-10-2)3-4-9-7;1-2/h8-9H,3-6H2,1-2H3;1-2H3.
What are the key properties of ethane;1-[2-(methoxymethyl)azetidin-2-yl]-N-methylmethanamine?
ethane;1-[2-(methoxymethyl)azetidin-2-yl]-N-methylmethanamine has a molecular weight of 174.29 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[2-(methoxymethyl)azetidin-2-yl]-N-methylmethanamine is sourced from PubChem (CID 177172991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).