2-(2-aminoethoxy)ethanamine;hydron;dichloride

C4H14Cl2N2O — CID 74764781

IUPAC2-(2-aminoethoxy)ethanamine;hydron;dichloride
SMILESNCCOCCN.[Cl-].[Cl-].[H+].[H+]
InChIInChI=1S/C4H12N2O.2ClH/c5-1-3-7-4-2-6;;/h1-6H2;2*1H
InChIKeyKTCUXFVANABSPX-UHFFFAOYSA-N
MW177.07 g/mol
LogP-6.85
Rot. Bonds4

About 2-(2-aminoethoxy)ethanamine;hydron;dichloride

2-(2-aminoethoxy)ethanamine;hydron;dichloride (PubChem CID 74764781) has the molecular formula C4H14Cl2N2O and a molecular weight of 177.07 g/mol. Its IUPAC name is 2-(2-aminoethoxy)ethanamine;hydron;dichloride.

Molecular Properties

Compound Name2-(2-aminoethoxy)ethanamine;hydron;dichloride
PubChem CID74764781
Molecular FormulaC4H14Cl2N2O
Molecular Weight177.07 g/mol
Exact Mass176.05
IUPAC Name2-(2-aminoethoxy)ethanamine;hydron;dichloride
SMILESNCCOCCN.[Cl-].[Cl-].[H+].[H+]
InChIInChI=1S/C4H12N2O.2ClH/c5-1-3-7-4-2-6;;/h1-6H2;2*1H
InChIKeyKTCUXFVANABSPX-UHFFFAOYSA-N
XLogP-6.85
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.07
LogP ≤ 5-6.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-aminoethoxy)ethanamine;azane
CID 87273439
2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine;azane
CID 174533279
2-(2-aminoethoxy)ethylazanium
CID 154027199
2-[2-[2-(2-aminoethoxy)ethylamino]ethoxy]ethanamine
CID 15792937
CID 176727323
CID 176727323
2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 18764651
5-(2-aminoethoxy)pentan-1-amine
CID 58473832
4-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]butan-1-amine
CID 22901826
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanethiol
CID 138393049
CID 169214399
CID 169214399
ethane-1,2-diamine;hydron
CID 175410368
methanamine;2-(2-methoxyethoxy)ethanamine
CID 145171254

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)ethanamine;hydron;dichloride?
The IUPAC name of 2-(2-aminoethoxy)ethanamine;hydron;dichloride (CID 74764781) is 2-(2-aminoethoxy)ethanamine;hydron;dichloride.
What is the SMILES notation for 2-(2-aminoethoxy)ethanamine;hydron;dichloride?
The canonical SMILES for 2-(2-aminoethoxy)ethanamine;hydron;dichloride is NCCOCCN.[Cl-].[Cl-].[H+].[H+].
What is the InChIKey of 2-(2-aminoethoxy)ethanamine;hydron;dichloride?
The InChIKey is KTCUXFVANABSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2O.2ClH/c5-1-3-7-4-2-6;;/h1-6H2;2*1H.
What are the key properties of 2-(2-aminoethoxy)ethanamine;hydron;dichloride?
2-(2-aminoethoxy)ethanamine;hydron;dichloride has a molecular weight of 177.07 g/mol, XLogP of -6.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)ethanamine;hydron;dichloride is sourced from PubChem (CID 74764781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).