N-[2-(dimethylamino)ethyl]carbamoyl chloride

C5H11ClN2O — CID 87387045

IUPACN-[2-(dimethylamino)ethyl]carbamoyl chloride
SMILESCN(C)CCNC(=O)Cl
InChIInChI=1S/C5H11ClN2O/c1-8(2)4-3-7-5(6)9/h3-4H2,1-2H3,(H,7,9)
InChIKeyJBDXCKJSZOQUAB-UHFFFAOYSA-N
MW150.61 g/mol
LogP0.50
Rot. Bonds3

About N-[2-(dimethylamino)ethyl]carbamoyl chloride

N-[2-(dimethylamino)ethyl]carbamoyl chloride (PubChem CID 87387045) has the molecular formula C5H11ClN2O and a molecular weight of 150.61 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]carbamoyl chloride.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]carbamoyl chloride
PubChem CID87387045
Molecular FormulaC5H11ClN2O
Molecular Weight150.61 g/mol
Exact Mass150.06
IUPAC NameN-[2-(dimethylamino)ethyl]carbamoyl chloride
SMILESCN(C)CCNC(=O)Cl
InChIInChI=1S/C5H11ClN2O/c1-8(2)4-3-7-5(6)9/h3-4H2,1-2H3,(H,7,9)
InChIKeyJBDXCKJSZOQUAB-UHFFFAOYSA-N
XLogP0.50
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.61
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

2-(dimethylamino)ethylurea
CID 16785331
2-(dimethylamino)ethylcarbamic acid;hydrochloride
CID 118321795
2-chloro-N-[2-(dimethylamino)ethylcarbamoyl]acetamide
CID 43146174
N-[2-(dimethylamino)ethyl]acetamide;ethane;molecular hydrogen
CID 156646595
ethane;methyl N-[2-(dimethylamino)ethyl]carbamate
CID 156869212
1-[2-(dimethylamino)ethyl]-3-methylurea;propane
CID 158826025
N-[2-(dimethylamino)ethyl]-2-hydrazinyl-2-oxoacetamide
CID 21353407
2-amino-N-[2-(dimethylamino)ethyl]acetamide;dihydrochloride
CID 56832115
(2R)-2-amino-N-[2-(dimethylamino)ethyl]propanamide
CID 40614324
N-[2-(dimethylamino)ethyl]prop-2-enamide;molecular hydrogen
CID 176682975
N-[2-(dimethylamino)ethyl]-4-hydroxybutanamide
CID 79002121
N-[2-(dimethylamino)ethyl]but-3-enamide
CID 89108263

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]carbamoyl chloride?
The IUPAC name of N-[2-(dimethylamino)ethyl]carbamoyl chloride (CID 87387045) is N-[2-(dimethylamino)ethyl]carbamoyl chloride.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]carbamoyl chloride?
The canonical SMILES for N-[2-(dimethylamino)ethyl]carbamoyl chloride is CN(C)CCNC(=O)Cl.
What is the InChIKey of N-[2-(dimethylamino)ethyl]carbamoyl chloride?
The InChIKey is JBDXCKJSZOQUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11ClN2O/c1-8(2)4-3-7-5(6)9/h3-4H2,1-2H3,(H,7,9).
What are the key properties of N-[2-(dimethylamino)ethyl]carbamoyl chloride?
N-[2-(dimethylamino)ethyl]carbamoyl chloride has a molecular weight of 150.61 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]carbamoyl chloride is sourced from PubChem (CID 87387045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).