2-(diethylamino)ethyl-methylcarbamic acid;dihydrochloride

C8H20Cl2N2O2 — CID 143842500

IUPAC2-(diethylamino)ethyl-methylcarbamic acid;dihydrochloride
SMILESCCN(CC)CCN(C)C(=O)O.Cl.Cl
InChIInChI=1S/C8H18N2O2.2ClH/c1-4-10(5-2)7-6-9(3)8(11)12;;/h4-7H2,1-3H3,(H,11,12);2*1H
InChIKeySDNHRSPXMYOYPE-UHFFFAOYSA-N
MW247.17 g/mol
LogP1.78
Rot. Bonds5

About 2-(diethylamino)ethyl-methylcarbamic acid;dihydrochloride

2-(diethylamino)ethyl-methylcarbamic acid;dihydrochloride (PubChem CID 143842500) has the molecular formula C8H20Cl2N2O2 and a molecular weight of 247.17 g/mol. Its IUPAC name is 2-(diethylamino)ethyl-methylcarbamic acid;dihydrochloride.

Molecular Properties

Compound Name2-(diethylamino)ethyl-methylcarbamic acid;dihydrochloride
PubChem CID143842500
Molecular FormulaC8H20Cl2N2O2
Molecular Weight247.17 g/mol
Exact Mass246.09
IUPAC Name2-(diethylamino)ethyl-methylcarbamic acid;dihydrochloride
SMILESCCN(CC)CCN(C)C(=O)O.Cl.Cl
InChIInChI=1S/C8H18N2O2.2ClH/c1-4-10(5-2)7-6-9(3)8(11)12;;/h4-7H2,1-3H3,(H,11,12);2*1H
InChIKeySDNHRSPXMYOYPE-UHFFFAOYSA-N
XLogP1.78
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.17
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(diethylamino)ethyl-methylcarbamic acid;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(N,N-diethylethanamine);oxalic acid
CID 71339505
2-cyano-N-[2-(diethylamino)ethyl]-N-methylacetamide
CID 165346740
acetic acid;N,N-diethylethanamine;dihydrochloride
CID 173065244
hexadecyl(methyl)carbamic acid
CID 15173799
N-[2-(diethylamino)ethyl]-N-methylpiperidine-2-carboxamide
CID 119054103
2-[[2-[carboxymethyl-[2-[carboxymethyl(ethyl)amino]ethyl]amino]acetyl]-methylamino]acetic acid
CID 143021592
[2-(diethylamino)ethyldisulfanyl]-methylcarbamic acid
CID 23619551
N',N'-diethyl-N,N-dimethylethane-1,2-diamine;ethane
CID 143296680
3-(diethylamino)propanoyl chloride;hydrochloride
CID 18975499
acetic acid;N',N'-diethylethane-1,2-diamine
CID 175226296
3-iodopropyl(methyl)carbamic acid
CID 21077788
3-[2-(diethylamino)ethyl-[3-(dimethylamino)propyl]amino]propanoic acid
CID 82330394

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl-methylcarbamic acid;dihydrochloride?
The IUPAC name of 2-(diethylamino)ethyl-methylcarbamic acid;dihydrochloride (CID 143842500) is 2-(diethylamino)ethyl-methylcarbamic acid;dihydrochloride.
What is the SMILES notation for 2-(diethylamino)ethyl-methylcarbamic acid;dihydrochloride?
The canonical SMILES for 2-(diethylamino)ethyl-methylcarbamic acid;dihydrochloride is CCN(CC)CCN(C)C(=O)O.Cl.Cl.
What is the InChIKey of 2-(diethylamino)ethyl-methylcarbamic acid;dihydrochloride?
The InChIKey is SDNHRSPXMYOYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2.2ClH/c1-4-10(5-2)7-6-9(3)8(11)12;;/h4-7H2,1-3H3,(H,11,12);2*1H.
What are the key properties of 2-(diethylamino)ethyl-methylcarbamic acid;dihydrochloride?
2-(diethylamino)ethyl-methylcarbamic acid;dihydrochloride has a molecular weight of 247.17 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl-methylcarbamic acid;dihydrochloride is sourced from PubChem (CID 143842500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).