2-(dimethylamino)ethylcarbamic acid;hydrochloride

C5H13ClN2O2 — CID 118321795

IUPAC2-(dimethylamino)ethylcarbamic acid;hydrochloride
SMILESCN(C)CCNC(=O)O.Cl
InChIInChI=1S/C5H12N2O2.ClH/c1-7(2)4-3-6-5(8)9;/h6H,3-4H2,1-2H3,(H,8,9);1H
InChIKeySMIIUZGXYZBJTE-UHFFFAOYSA-N
MW168.62 g/mol
LogP0.24
Rot. Bonds3

About 2-(dimethylamino)ethylcarbamic acid;hydrochloride

2-(dimethylamino)ethylcarbamic acid;hydrochloride (PubChem CID 118321795) has the molecular formula C5H13ClN2O2 and a molecular weight of 168.62 g/mol. Its IUPAC name is 2-(dimethylamino)ethylcarbamic acid;hydrochloride.

Molecular Properties

Compound Name2-(dimethylamino)ethylcarbamic acid;hydrochloride
PubChem CID118321795
Molecular FormulaC5H13ClN2O2
Molecular Weight168.62 g/mol
Exact Mass168.07
IUPAC Name2-(dimethylamino)ethylcarbamic acid;hydrochloride
SMILESCN(C)CCNC(=O)O.Cl
InChIInChI=1S/C5H12N2O2.ClH/c1-7(2)4-3-6-5(8)9;/h6H,3-4H2,1-2H3,(H,8,9);1H
InChIKeySMIIUZGXYZBJTE-UHFFFAOYSA-N
XLogP0.24
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.62
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 87158282
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2-amino-N-[2-(dimethylamino)ethyl]acetamide;dihydrochloride
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2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethylcarbamic acid
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2-[[2-[2-(dimethylamino)ethylamino]-2-hydroperoxyethenyl]amino]ethylcarbamic acid
CID 175431316
2-chloro-N-[2-(dimethylamino)ethylcarbamoyl]acetamide
CID 43146174
ethane;methyl N-[2-(dimethylamino)ethyl]carbamate
CID 156869212
N-[2-(dimethylamino)ethyl]acetamide;ethane;molecular hydrogen
CID 156646595
3-[methyl((113C)methyl)amino]propanoic acid;hydrochloride
CID 172746252
2-(dimethylamino)ethylcarbamoyl-ethylcarbamic acid
CID 139958062
1-[2-(dimethylamino)ethyl]-3-methylurea;propane
CID 158826025

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethylcarbamic acid;hydrochloride?
The IUPAC name of 2-(dimethylamino)ethylcarbamic acid;hydrochloride (CID 118321795) is 2-(dimethylamino)ethylcarbamic acid;hydrochloride.
What is the SMILES notation for 2-(dimethylamino)ethylcarbamic acid;hydrochloride?
The canonical SMILES for 2-(dimethylamino)ethylcarbamic acid;hydrochloride is CN(C)CCNC(=O)O.Cl.
What is the InChIKey of 2-(dimethylamino)ethylcarbamic acid;hydrochloride?
The InChIKey is SMIIUZGXYZBJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O2.ClH/c1-7(2)4-3-6-5(8)9;/h6H,3-4H2,1-2H3,(H,8,9);1H.
What are the key properties of 2-(dimethylamino)ethylcarbamic acid;hydrochloride?
2-(dimethylamino)ethylcarbamic acid;hydrochloride has a molecular weight of 168.62 g/mol, XLogP of 0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethylcarbamic acid;hydrochloride is sourced from PubChem (CID 118321795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).