ethane;1-methoxy-N-(methoxymethyl)-N-methylmethanamine

C7H19NO2 — CID 145098695

IUPACethane;1-methoxy-N-(methoxymethyl)-N-methylmethanamine
SMILESCC.COCN(C)COC
InChIInChI=1S/C5H13NO2.C2H6/c1-6(4-7-2)5-8-3;1-2/h4-5H2,1-3H3;1-2H3
InChIKeyCLSHAZFBCUSQCF-UHFFFAOYSA-N
MW149.23 g/mol
LogP1.15
Rot. Bonds4

About ethane;1-methoxy-N-(methoxymethyl)-N-methylmethanamine

ethane;1-methoxy-N-(methoxymethyl)-N-methylmethanamine (PubChem CID 145098695) has the molecular formula C7H19NO2 and a molecular weight of 149.23 g/mol. Its IUPAC name is ethane;1-methoxy-N-(methoxymethyl)-N-methylmethanamine.

Molecular Properties

Compound Nameethane;1-methoxy-N-(methoxymethyl)-N-methylmethanamine
PubChem CID145098695
Molecular FormulaC7H19NO2
Molecular Weight149.23 g/mol
Exact Mass149.14
IUPAC Nameethane;1-methoxy-N-(methoxymethyl)-N-methylmethanamine
SMILESCC.COCN(C)COC
InChIInChI=1S/C5H13NO2.C2H6/c1-6(4-7-2)5-8-3;1-2/h4-5H2,1-3H3;1-2H3
InChIKeyCLSHAZFBCUSQCF-UHFFFAOYSA-N
XLogP1.15
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.23
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;1-methoxy-N-(methoxymethyl)-N-methylmethanamine?
The IUPAC name of ethane;1-methoxy-N-(methoxymethyl)-N-methylmethanamine (CID 145098695) is ethane;1-methoxy-N-(methoxymethyl)-N-methylmethanamine.
What is the SMILES notation for ethane;1-methoxy-N-(methoxymethyl)-N-methylmethanamine?
The canonical SMILES for ethane;1-methoxy-N-(methoxymethyl)-N-methylmethanamine is CC.COCN(C)COC.
What is the InChIKey of ethane;1-methoxy-N-(methoxymethyl)-N-methylmethanamine?
The InChIKey is CLSHAZFBCUSQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO2.C2H6/c1-6(4-7-2)5-8-3;1-2/h4-5H2,1-3H3;1-2H3.
What are the key properties of ethane;1-methoxy-N-(methoxymethyl)-N-methylmethanamine?
ethane;1-methoxy-N-(methoxymethyl)-N-methylmethanamine has a molecular weight of 149.23 g/mol, XLogP of 1.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methoxy-N-(methoxymethyl)-N-methylmethanamine is sourced from PubChem (CID 145098695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).