2-(ethylamino)ethyl hydrogen carbonate;hydrochloride

C5H12ClNO3 — CID 143701623

IUPAC2-(ethylamino)ethyl hydrogen carbonate;hydrochloride
SMILESCCNCCOC(=O)O.Cl
InChIInChI=1S/C5H11NO3.ClH/c1-2-6-3-4-9-5(7)8;/h6H,2-4H2,1H3,(H,7,8);1H
InChIKeyWXCKNPDSYINARW-UHFFFAOYSA-N
MW169.61 g/mol
LogP0.71
Rot. Bonds4

About 2-(ethylamino)ethyl hydrogen carbonate;hydrochloride

2-(ethylamino)ethyl hydrogen carbonate;hydrochloride (PubChem CID 143701623) has the molecular formula C5H12ClNO3 and a molecular weight of 169.61 g/mol. Its IUPAC name is 2-(ethylamino)ethyl hydrogen carbonate;hydrochloride.

Molecular Properties

Compound Name2-(ethylamino)ethyl hydrogen carbonate;hydrochloride
PubChem CID143701623
Molecular FormulaC5H12ClNO3
Molecular Weight169.61 g/mol
Exact Mass169.05
IUPAC Name2-(ethylamino)ethyl hydrogen carbonate;hydrochloride
SMILESCCNCCOC(=O)O.Cl
InChIInChI=1S/C5H11NO3.ClH/c1-2-6-3-4-9-5(7)8;/h6H,2-4H2,1H3,(H,7,8);1H
InChIKeyWXCKNPDSYINARW-UHFFFAOYSA-N
XLogP0.71
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.61
LogP ≤ 50.71
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-hydroxyethylamino)ethyl hydrogen carbonate
CID 23179916
2-[4-(ethylamino)butylamino]ethyl methyl carbonate
CID 59121659
2-acetamidoethyl hydrogen carbonate
CID 150133482
2-(ethylamino)ethyl 4-oxobutanoate
CID 138517503
2-(ethylamino)ethyl tetradecanoate
CID 22321443
3-(ethylamino)propanoic acid;hydrochloride
CID 86759576
2-[2-(ethylamino)ethoxycarbonyl]cyclohexane-1-carboxylic acid
CID 22298290
ethane;3-(ethylamino)propanamide
CID 156743022
3-(ethylamino)propyl acetate
CID 88999125
2-(ethylamino)ethyl 4-aminobenzoate
CID 45089797
2-[2-(ethylamino)ethoxy]ethyl N-methylcarbamate
CID 87801035
2-ethoxy-N-ethylethanamine;hydrochloride
CID 86621180

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)ethyl hydrogen carbonate;hydrochloride?
The IUPAC name of 2-(ethylamino)ethyl hydrogen carbonate;hydrochloride (CID 143701623) is 2-(ethylamino)ethyl hydrogen carbonate;hydrochloride.
What is the SMILES notation for 2-(ethylamino)ethyl hydrogen carbonate;hydrochloride?
The canonical SMILES for 2-(ethylamino)ethyl hydrogen carbonate;hydrochloride is CCNCCOC(=O)O.Cl.
What is the InChIKey of 2-(ethylamino)ethyl hydrogen carbonate;hydrochloride?
The InChIKey is WXCKNPDSYINARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO3.ClH/c1-2-6-3-4-9-5(7)8;/h6H,2-4H2,1H3,(H,7,8);1H.
What are the key properties of 2-(ethylamino)ethyl hydrogen carbonate;hydrochloride?
2-(ethylamino)ethyl hydrogen carbonate;hydrochloride has a molecular weight of 169.61 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)ethyl hydrogen carbonate;hydrochloride is sourced from PubChem (CID 143701623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).