2-chloro-N,N-dimethylethanamine;N,N',N'-trimethylethane-1,2-diamine;hydrochloride

C9H25Cl2N3 — CID 160877292

IUPAC2-chloro-N,N-dimethylethanamine;N,N',N'-trimethylethane-1,2-diamine;hydrochloride
SMILESCN(C)CCCl.CNCCN(C)C.Cl
InChIInChI=1S/C5H14N2.C4H10ClN.ClH/c1-6-4-5-7(2)3;1-6(2)4-3-5;/h6H,4-5H2,1-3H3;3-4H2,1-2H3;1H
InChIKeyAOLGFOSCXWELBZ-UHFFFAOYSA-N
MW246.23 g/mol
LogP0.98
Rot. Bonds5

About 2-chloro-N,N-dimethylethanamine;N,N',N'-trimethylethane-1,2-diamine;hydrochloride

2-chloro-N,N-dimethylethanamine;N,N',N'-trimethylethane-1,2-diamine;hydrochloride (PubChem CID 160877292) has the molecular formula C9H25Cl2N3 and a molecular weight of 246.23 g/mol. Its IUPAC name is 2-chloro-N,N-dimethylethanamine;N,N',N'-trimethylethane-1,2-diamine;hydrochloride.

Molecular Properties

Compound Name2-chloro-N,N-dimethylethanamine;N,N',N'-trimethylethane-1,2-diamine;hydrochloride
PubChem CID160877292
Molecular FormulaC9H25Cl2N3
Molecular Weight246.23 g/mol
Exact Mass245.14
IUPAC Name2-chloro-N,N-dimethylethanamine;N,N',N'-trimethylethane-1,2-diamine;hydrochloride
SMILESCN(C)CCCl.CNCCN(C)C.Cl
InChIInChI=1S/C5H14N2.C4H10ClN.ClH/c1-6-4-5-7(2)3;1-6(2)4-3-5;/h6H,4-5H2,1-3H3;3-4H2,1-2H3;1H
InChIKeyAOLGFOSCXWELBZ-UHFFFAOYSA-N
XLogP0.98
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

lithium;hydride;N,N',N'-trimethylethane-1,2-diamine
CID 173063979
propane;N,N',N'-trimethylethane-1,2-diamine
CID 176717346
ethane;propane;N,N',N'-trimethylethane-1,2-diamine
CID 143559684
2-chloro-N,N-dimethylethanamine;3-chloro-N,N-dimethylpropan-1-amine;dihydrochloride
CID 19917203
N'-(5-chloropentyl)-N,N'-dimethylhexadecane-1,16-diamine;hydrochloride
CID 141033111
copper;bis(N,N,N',N'-tetramethylethane-1,2-diamine);dihydrochloride
CID 173046939
methanol;N,N',N'-trimethylpropane-1,3-diamine
CID 172587497
N,N',N'-trimethylheptane-1,7-diamine
CID 20647758
azane;N,N',N'-trimethylhexane-1,6-diamine
CID 23104245
N,N'-dimethyl-N'-phosphanylethane-1,2-diamine
CID 129067640
N-(4-chlorobutan-2-yl)-N',N'-dimethylethane-1,2-diamine
CID 83186512
CID 88826921
CID 88826921

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,N-dimethylethanamine;N,N',N'-trimethylethane-1,2-diamine;hydrochloride?
The IUPAC name of 2-chloro-N,N-dimethylethanamine;N,N',N'-trimethylethane-1,2-diamine;hydrochloride (CID 160877292) is 2-chloro-N,N-dimethylethanamine;N,N',N'-trimethylethane-1,2-diamine;hydrochloride.
What is the SMILES notation for 2-chloro-N,N-dimethylethanamine;N,N',N'-trimethylethane-1,2-diamine;hydrochloride?
The canonical SMILES for 2-chloro-N,N-dimethylethanamine;N,N',N'-trimethylethane-1,2-diamine;hydrochloride is CN(C)CCCl.CNCCN(C)C.Cl.
What is the InChIKey of 2-chloro-N,N-dimethylethanamine;N,N',N'-trimethylethane-1,2-diamine;hydrochloride?
The InChIKey is AOLGFOSCXWELBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2.C4H10ClN.ClH/c1-6-4-5-7(2)3;1-6(2)4-3-5;/h6H,4-5H2,1-3H3;3-4H2,1-2H3;1H.
What are the key properties of 2-chloro-N,N-dimethylethanamine;N,N',N'-trimethylethane-1,2-diamine;hydrochloride?
2-chloro-N,N-dimethylethanamine;N,N',N'-trimethylethane-1,2-diamine;hydrochloride has a molecular weight of 246.23 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,N-dimethylethanamine;N,N',N'-trimethylethane-1,2-diamine;hydrochloride is sourced from PubChem (CID 160877292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).