diethoxymethanamine;hydrochloride

C5H14ClNO2 — CID 175125355

IUPACdiethoxymethanamine;hydrochloride
SMILESCCOC(N)OCC.Cl
InChIInChI=1S/C5H13NO2.ClH/c1-3-7-5(6)8-4-2;/h5H,3-4,6H2,1-2H3;1H
InChIKeyHQPAIEWENLUUEJ-UHFFFAOYSA-N
MW155.62 g/mol
LogP0.72
Rot. Bonds4

About diethoxymethanamine;hydrochloride

diethoxymethanamine;hydrochloride (PubChem CID 175125355) has the molecular formula C5H14ClNO2 and a molecular weight of 155.62 g/mol. Its IUPAC name is diethoxymethanamine;hydrochloride.

Molecular Properties

Compound Namediethoxymethanamine;hydrochloride
PubChem CID175125355
Molecular FormulaC5H14ClNO2
Molecular Weight155.62 g/mol
Exact Mass155.07
IUPAC Namediethoxymethanamine;hydrochloride
SMILESCCOC(N)OCC.Cl
InChIInChI=1S/C5H13NO2.ClH/c1-3-7-5(6)8-4-2;/h5H,3-4,6H2,1-2H3;1H
InChIKeyHQPAIEWENLUUEJ-UHFFFAOYSA-N
XLogP0.72
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.62
LogP ≤ 50.72
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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Related Compounds

cyclopropane;diethoxymethanamine
CID 67531002
(2S)-3-ethoxybutan-2-amine
CID 64712582
1,1,7,7-tetraethoxyheptan-4-amine
CID 10469545
2-ethoxybutan-1-amine;hydrochloride
CID 53398977
1,1-diethoxyethane
CID 7765
3-amino-3-ethoxypropan-1-ol
CID 88521290
2-(1-aminoethoxy)-1-ethoxyethanamine
CID 87667813
1,1-diethoxy-4-silylbutan-2-amine
CID 174746425
2-chloro-1-ethoxy-2-ethylbutan-1-amine
CID 22618234
CID 165175162
CID 165175162
1,1-diethoxyethane;sulfane
CID 87563963
dichloromethoxyethane
CID 12643245

Frequently Asked Questions

What is the IUPAC name of diethoxymethanamine;hydrochloride?
The IUPAC name of diethoxymethanamine;hydrochloride (CID 175125355) is diethoxymethanamine;hydrochloride.
What is the SMILES notation for diethoxymethanamine;hydrochloride?
The canonical SMILES for diethoxymethanamine;hydrochloride is CCOC(N)OCC.Cl.
What is the InChIKey of diethoxymethanamine;hydrochloride?
The InChIKey is HQPAIEWENLUUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO2.ClH/c1-3-7-5(6)8-4-2;/h5H,3-4,6H2,1-2H3;1H.
What are the key properties of diethoxymethanamine;hydrochloride?
diethoxymethanamine;hydrochloride has a molecular weight of 155.62 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxymethanamine;hydrochloride is sourced from PubChem (CID 175125355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).