2-chloroethanamine;N,N-dimethylmethanamine;hydrochloride

C5H16Cl2N2 — CID 87420942

IUPAC2-chloroethanamine;N,N-dimethylmethanamine;hydrochloride
SMILESCN(C)C.Cl.NCCCl
InChIInChI=1S/C3H9N.C2H6ClN.ClH/c1-4(2)3;3-1-2-4;/h1-3H3;1-2,4H2;1H
InChIKeyTYQSVVUEFATTKW-UHFFFAOYSA-N
MW175.10 g/mol
LogP0.78
Rot. Bonds1

About 2-chloroethanamine;N,N-dimethylmethanamine;hydrochloride

2-chloroethanamine;N,N-dimethylmethanamine;hydrochloride (PubChem CID 87420942) has the molecular formula C5H16Cl2N2 and a molecular weight of 175.10 g/mol. Its IUPAC name is 2-chloroethanamine;N,N-dimethylmethanamine;hydrochloride.

Molecular Properties

Compound Name2-chloroethanamine;N,N-dimethylmethanamine;hydrochloride
PubChem CID87420942
Molecular FormulaC5H16Cl2N2
Molecular Weight175.10 g/mol
Exact Mass174.07
IUPAC Name2-chloroethanamine;N,N-dimethylmethanamine;hydrochloride
SMILESCN(C)C.Cl.NCCCl
InChIInChI=1S/C3H9N.C2H6ClN.ClH/c1-4(2)3;3-1-2-4;/h1-3H3;1-2,4H2;1H
InChIKeyTYQSVVUEFATTKW-UHFFFAOYSA-N
XLogP0.78
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.10
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-Chloroethyl)dimethylamine, chloride
CID 20717
2-Chloroethyl(dimethyl)azanium chloride
CID 59159888
chloroethane;N-ethylethanamine;hydrochloride
CID 22709394
(2-Amino-2-chloroethyl)-trimethylazanium;hydrochloride
CID 87300214
1-chloroethanamine;N,N-dimethylmethanamine
CID 87752765
2-chloroethanamine;N,N-dimethylmethanamine
CID 87770538
1-chloropropan-1-amine;N,N-dimethylmethanamine
CID 87947838
2-chloro-N-(2-chloroethyl)-N-methylethanamine;N-chloroethanamine
CID 88597447
Bis(2-chloroethyl(methyl)azanium) dichloride
CID 140128985
Azanium;2-chloroethyl(trimethyl)azanium;dichloride
CID 140539934
2-Aminoethyl-(2-chloroethyl)-dimethylazanium;azanide;chloride
CID 161398257
chloroethane;N,N-dimethylethanamine;methane;N-methylmethanamine
CID 161675042

Frequently Asked Questions

What is the IUPAC name of 2-chloroethanamine;N,N-dimethylmethanamine;hydrochloride?
The IUPAC name of 2-chloroethanamine;N,N-dimethylmethanamine;hydrochloride (CID 87420942) is 2-chloroethanamine;N,N-dimethylmethanamine;hydrochloride.
What is the SMILES notation for 2-chloroethanamine;N,N-dimethylmethanamine;hydrochloride?
The canonical SMILES for 2-chloroethanamine;N,N-dimethylmethanamine;hydrochloride is CN(C)C.Cl.NCCCl.
What is the InChIKey of 2-chloroethanamine;N,N-dimethylmethanamine;hydrochloride?
The InChIKey is TYQSVVUEFATTKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N.C2H6ClN.ClH/c1-4(2)3;3-1-2-4;/h1-3H3;1-2,4H2;1H.
What are the key properties of 2-chloroethanamine;N,N-dimethylmethanamine;hydrochloride?
2-chloroethanamine;N,N-dimethylmethanamine;hydrochloride has a molecular weight of 175.10 g/mol, XLogP of 0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroethanamine;N,N-dimethylmethanamine;hydrochloride is sourced from PubChem (CID 87420942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).