1-methoxy-1-N',1-N'-dimethylethane-1,1-diamine

C5H14N2O — CID 174943740

IUPAC1-methoxy-1-N',1-N'-dimethylethane-1,1-diamine
SMILESCOC(C)(N)N(C)C
InChIInChI=1S/C5H14N2O/c1-5(6,8-4)7(2)3/h6H2,1-4H3
InChIKeyBRIYUUYQNUADSO-UHFFFAOYSA-N
MW118.18 g/mol
LogP-0.17
Rot. Bonds2

About 1-methoxy-1-N',1-N'-dimethylethane-1,1-diamine

1-methoxy-1-N',1-N'-dimethylethane-1,1-diamine (PubChem CID 174943740) has the molecular formula C5H14N2O and a molecular weight of 118.18 g/mol. Its IUPAC name is 1-methoxy-1-N',1-N'-dimethylethane-1,1-diamine.

Molecular Properties

Compound Name1-methoxy-1-N',1-N'-dimethylethane-1,1-diamine
PubChem CID174943740
Molecular FormulaC5H14N2O
Molecular Weight118.18 g/mol
Exact Mass118.11
IUPAC Name1-methoxy-1-N',1-N'-dimethylethane-1,1-diamine
SMILESCOC(C)(N)N(C)C
InChIInChI=1S/C5H14N2O/c1-5(6,8-4)7(2)3/h6H2,1-4H3
InChIKeyBRIYUUYQNUADSO-UHFFFAOYSA-N
XLogP-0.17
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.18
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
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 1-methoxy-1-N',1-N'-dimethylethane-1,1-diamine?
The IUPAC name of 1-methoxy-1-N',1-N'-dimethylethane-1,1-diamine (CID 174943740) is 1-methoxy-1-N',1-N'-dimethylethane-1,1-diamine.
What is the SMILES notation for 1-methoxy-1-N',1-N'-dimethylethane-1,1-diamine?
The canonical SMILES for 1-methoxy-1-N',1-N'-dimethylethane-1,1-diamine is COC(C)(N)N(C)C.
What is the InChIKey of 1-methoxy-1-N',1-N'-dimethylethane-1,1-diamine?
The InChIKey is BRIYUUYQNUADSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2O/c1-5(6,8-4)7(2)3/h6H2,1-4H3.
What are the key properties of 1-methoxy-1-N',1-N'-dimethylethane-1,1-diamine?
1-methoxy-1-N',1-N'-dimethylethane-1,1-diamine has a molecular weight of 118.18 g/mol, XLogP of -0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-1-N',1-N'-dimethylethane-1,1-diamine is sourced from PubChem (CID 174943740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).