1-ethoxy-N-methylethane-1,2-diamine

C5H14N2O — CID 146966482

IUPAC1-ethoxy-N-methylethane-1,2-diamine
SMILESCCOC(CN)NC
InChIInChI=1S/C5H14N2O/c1-3-8-5(4-6)7-2/h5,7H,3-4,6H2,1-2H3
InChIKeyALPDZTSZYUYGHE-UHFFFAOYSA-N
MW118.18 g/mol
LogP-0.47
Rot. Bonds4

About 1-ethoxy-N-methylethane-1,2-diamine

1-ethoxy-N-methylethane-1,2-diamine (PubChem CID 146966482) has the molecular formula C5H14N2O and a molecular weight of 118.18 g/mol. Its IUPAC name is 1-ethoxy-N-methylethane-1,2-diamine.

Molecular Properties

Compound Name1-ethoxy-N-methylethane-1,2-diamine
PubChem CID146966482
Molecular FormulaC5H14N2O
Molecular Weight118.18 g/mol
Exact Mass118.11
IUPAC Name1-ethoxy-N-methylethane-1,2-diamine
SMILESCCOC(CN)NC
InChIInChI=1S/C5H14N2O/c1-3-8-5(4-6)7-2/h5,7H,3-4,6H2,1-2H3
InChIKeyALPDZTSZYUYGHE-UHFFFAOYSA-N
XLogP-0.47
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.18
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
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

2-ethoxy-2-(methylamino)ethanol
CID 57110099
1-ethoxy-N-methylethanamine
CID 57089902
2-(2-aminoethylamino)-2-ethoxyethanol
CID 22141723
ethane;2-ethoxybutan-1-amine
CID 176948064
N-chloro-1-ethoxypropan-1-amine
CID 23599822
2-ethoxy-3-methylbutan-1-amine
CID 62445436
2-ethoxybutan-1-amine;hydrochloride
CID 53398977
1,1-diethoxyethane;N-methylmethanamine
CID 90073696
2-N-methylpropane-1,2,3-triamine
CID 22619064
diethoxymethanamine;hydrochloride
CID 175125355
1-ethoxy-2,2,2-trifluoro-N-methylethanamine
CID 58790311
1,1-diethoxy-N,3-dimethylbutan-2-amine
CID 12506255

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-N-methylethane-1,2-diamine?
The IUPAC name of 1-ethoxy-N-methylethane-1,2-diamine (CID 146966482) is 1-ethoxy-N-methylethane-1,2-diamine.
What is the SMILES notation for 1-ethoxy-N-methylethane-1,2-diamine?
The canonical SMILES for 1-ethoxy-N-methylethane-1,2-diamine is CCOC(CN)NC.
What is the InChIKey of 1-ethoxy-N-methylethane-1,2-diamine?
The InChIKey is ALPDZTSZYUYGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2O/c1-3-8-5(4-6)7-2/h5,7H,3-4,6H2,1-2H3.
What are the key properties of 1-ethoxy-N-methylethane-1,2-diamine?
1-ethoxy-N-methylethane-1,2-diamine has a molecular weight of 118.18 g/mol, XLogP of -0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-N-methylethane-1,2-diamine is sourced from PubChem (CID 146966482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).