2-chloro-1,1,2,2-tetradeuterio-N-(dideuteriomethyl)-N-methylethanamine;hydrochloride

C4H11Cl2N — CID 131698787

IUPAC2-chloro-1,1,2,2-tetradeuterio-N-(dideuteriomethyl)-N-methylethanamine;hydrochloride
SMILESCl.[2H]C([2H])N(C)C([2H])([2H])C([2H])([2H])Cl
InChIInChI=1S/C4H10ClN.ClH/c1-6(2)4-3-5;/h3-4H2,1-2H3;1H/i1D2,3D2,4D2;
InChIKeyLQLJZSJKRYTKTP-KCBZJTFISA-N
MW150.08 g/mol
LogP1.21
Rot. Bonds3

About 2-chloro-1,1,2,2-tetradeuterio-N-(dideuteriomethyl)-N-methylethanamine;hydrochloride

2-chloro-1,1,2,2-tetradeuterio-N-(dideuteriomethyl)-N-methylethanamine;hydrochloride (PubChem CID 131698787) has the molecular formula C4H11Cl2N and a molecular weight of 150.08 g/mol. Its IUPAC name is 2-chloro-1,1,2,2-tetradeuterio-N-(dideuteriomethyl)-N-methylethanamine;hydrochloride.

Molecular Properties

Compound Name2-chloro-1,1,2,2-tetradeuterio-N-(dideuteriomethyl)-N-methylethanamine;hydrochloride
PubChem CID131698787
Molecular FormulaC4H11Cl2N
Molecular Weight150.08 g/mol
Exact Mass149.06
IUPAC Name2-chloro-1,1,2,2-tetradeuterio-N-(dideuteriomethyl)-N-methylethanamine;hydrochloride
SMILESCl.[2H]C([2H])N(C)C([2H])([2H])C([2H])([2H])Cl
InChIInChI=1S/C4H10ClN.ClH/c1-6(2)4-3-5;/h3-4H2,1-2H3;1H/i1D2,3D2,4D2;
InChIKeyLQLJZSJKRYTKTP-KCBZJTFISA-N
XLogP1.21
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.08
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-1,1,2,2-tetradeuterio-N-(dideuteriomethyl)-N-methylethanamine
CID 131698788
2-chloro-N-(deuteriomethyl)-N-(trideuteriomethyl)ethanamine
CID 71776709
1,1-dideuterio-N,2,2-trimethyl-N-(trideuteriomethyl)propan-1-amine
CID 171606573
2-chloro-N,N-dimethylethanamine;3-chloro-N,N-dimethylpropan-1-amine;dihydrochloride
CID 19917203
1,10-dichloro-1,1,10,10-tetradeuteriodecane
CID 76974059
2-chloro-2,2-dideuterioethanamine
CID 10534652
copper;bis(N,N,N',N'-tetramethylethane-1,2-diamine);dihydrochloride
CID 173046939
N,N-dimethylbutan-1-amine;dihydrochloride
CID 174248401
bis(1-chloro-3-(dimethylamino)propan-2-ol);propane;dihydrochloride
CID 173321209
2-(2-chloroethoxy)-N,N-dimethylethanamine;hydrochloride
CID 71756551
N,N,N',N'-tetramethylbutane-1,4-diamine;dihydrochloride
CID 20545505
2-chloro-N,N-dimethylethanamine;N,N',N'-trimethylethane-1,2-diamine;hydrochloride
CID 160877292

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1,1,2,2-tetradeuterio-N-(dideuteriomethyl)-N-methylethanamine;hydrochloride?
The IUPAC name of 2-chloro-1,1,2,2-tetradeuterio-N-(dideuteriomethyl)-N-methylethanamine;hydrochloride (CID 131698787) is 2-chloro-1,1,2,2-tetradeuterio-N-(dideuteriomethyl)-N-methylethanamine;hydrochloride.
What is the SMILES notation for 2-chloro-1,1,2,2-tetradeuterio-N-(dideuteriomethyl)-N-methylethanamine;hydrochloride?
The canonical SMILES for 2-chloro-1,1,2,2-tetradeuterio-N-(dideuteriomethyl)-N-methylethanamine;hydrochloride is Cl.[2H]C([2H])N(C)C([2H])([2H])C([2H])([2H])Cl.
What is the InChIKey of 2-chloro-1,1,2,2-tetradeuterio-N-(dideuteriomethyl)-N-methylethanamine;hydrochloride?
The InChIKey is LQLJZSJKRYTKTP-KCBZJTFISA-N. The full InChI is InChI=1S/C4H10ClN.ClH/c1-6(2)4-3-5;/h3-4H2,1-2H3;1H/i1D2,3D2,4D2;.
What are the key properties of 2-chloro-1,1,2,2-tetradeuterio-N-(dideuteriomethyl)-N-methylethanamine;hydrochloride?
2-chloro-1,1,2,2-tetradeuterio-N-(dideuteriomethyl)-N-methylethanamine;hydrochloride has a molecular weight of 150.08 g/mol, XLogP of 1.21, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1,1,2,2-tetradeuterio-N-(dideuteriomethyl)-N-methylethanamine;hydrochloride is sourced from PubChem (CID 131698787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).