N,N-dichloromethanamine;N-ethylethanamine;hydrochloride

C5H15Cl3N2 — CID 174965794

IUPACN,N-dichloromethanamine;N-ethylethanamine;hydrochloride
SMILESCCNCC.CN(Cl)Cl.Cl
InChIInChI=1S/C4H11N.CH3Cl2N.ClH/c1-3-5-4-2;1-4(2)3;/h5H,3-4H2,1-2H3;1H3;1H
InChIKeyGVJDJSYGBJDXCN-UHFFFAOYSA-N
MW209.55 g/mol
LogP2.26
Rot. Bonds2

About N,N-dichloromethanamine;N-ethylethanamine;hydrochloride

N,N-dichloromethanamine;N-ethylethanamine;hydrochloride (PubChem CID 174965794) has the molecular formula C5H15Cl3N2 and a molecular weight of 209.55 g/mol. Its IUPAC name is N,N-dichloromethanamine;N-ethylethanamine;hydrochloride.

Molecular Properties

Compound NameN,N-dichloromethanamine;N-ethylethanamine;hydrochloride
PubChem CID174965794
Molecular FormulaC5H15Cl3N2
Molecular Weight209.55 g/mol
Exact Mass208.03
IUPAC NameN,N-dichloromethanamine;N-ethylethanamine;hydrochloride
SMILESCCNCC.CN(Cl)Cl.Cl
InChIInChI=1S/C4H11N.CH3Cl2N.ClH/c1-3-5-4-2;1-4(2)3;/h5H,3-4H2,1-2H3;1H3;1H
InChIKeyGVJDJSYGBJDXCN-UHFFFAOYSA-N
XLogP2.26
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.55
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dichloromethanamine;N-ethylethanamine;hydrochloride?
The IUPAC name of N,N-dichloromethanamine;N-ethylethanamine;hydrochloride (CID 174965794) is N,N-dichloromethanamine;N-ethylethanamine;hydrochloride.
What is the SMILES notation for N,N-dichloromethanamine;N-ethylethanamine;hydrochloride?
The canonical SMILES for N,N-dichloromethanamine;N-ethylethanamine;hydrochloride is CCNCC.CN(Cl)Cl.Cl.
What is the InChIKey of N,N-dichloromethanamine;N-ethylethanamine;hydrochloride?
The InChIKey is GVJDJSYGBJDXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N.CH3Cl2N.ClH/c1-3-5-4-2;1-4(2)3;/h5H,3-4H2,1-2H3;1H3;1H.
What are the key properties of N,N-dichloromethanamine;N-ethylethanamine;hydrochloride?
N,N-dichloromethanamine;N-ethylethanamine;hydrochloride has a molecular weight of 209.55 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dichloromethanamine;N-ethylethanamine;hydrochloride is sourced from PubChem (CID 174965794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).