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

C4H10ClN — CID 131698788

IUPAC2-chloro-1,1,2,2-tetradeuterio-N-(dideuteriomethyl)-N-methylethanamine
SMILES[2H]C([2H])N(C)C([2H])([2H])C([2H])([2H])Cl
InChIInChI=1S/C4H10ClN/c1-6(2)4-3-5/h3-4H2,1-2H3/i1D2,3D2,4D2
InChIKeyWQMAANNAZKNUDL-ORNWBJTKSA-N
MW113.62 g/mol
LogP0.79
Rot. Bonds3

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

2-chloro-1,1,2,2-tetradeuterio-N-(dideuteriomethyl)-N-methylethanamine (PubChem CID 131698788) has the molecular formula C4H10ClN and a molecular weight of 113.62 g/mol. Its IUPAC name is 2-chloro-1,1,2,2-tetradeuterio-N-(dideuteriomethyl)-N-methylethanamine.

Molecular Properties

Compound Name2-chloro-1,1,2,2-tetradeuterio-N-(dideuteriomethyl)-N-methylethanamine
PubChem CID131698788
Molecular FormulaC4H10ClN
Molecular Weight113.62 g/mol
Exact Mass113.09
IUPAC Name2-chloro-1,1,2,2-tetradeuterio-N-(dideuteriomethyl)-N-methylethanamine
SMILES[2H]C([2H])N(C)C([2H])([2H])C([2H])([2H])Cl
InChIInChI=1S/C4H10ClN/c1-6(2)4-3-5/h3-4H2,1-2H3/i1D2,3D2,4D2
InChIKeyWQMAANNAZKNUDL-ORNWBJTKSA-N
XLogP0.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.62
LogP ≤ 50.79
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;hydrochloride
CID 131698787
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-2,2-dideuterioethanamine
CID 10534652
1,10-dichloro-1,1,10,10-tetradeuteriodecane
CID 76974059
12-chloro-N,N-dimethyldodecan-1-amine
CID 71338336
2-chloro-N-ethyl-N-methylethanamine;propane
CID 143204321
1-deuterio-N,N-dimethylpropane-1,3-diamine
CID 175974134
1,3-bis(2-chloro-1,1,2,2-tetradeuterioethyl)-1-nitrosourea
CID 162642673
N,N'-bis(chloromethyl)-N,N'-dimethylethane-1,2-diamine
CID 88914323
(1S)-2-chloro-N,N-dimethyl-1-methylsulfanylethanamine
CID 55302478
1-[bis(trideuteriomethyl)amino]propan-2-ol
CID 121487893

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1,1,2,2-tetradeuterio-N-(dideuteriomethyl)-N-methylethanamine?
The IUPAC name of 2-chloro-1,1,2,2-tetradeuterio-N-(dideuteriomethyl)-N-methylethanamine (CID 131698788) is 2-chloro-1,1,2,2-tetradeuterio-N-(dideuteriomethyl)-N-methylethanamine.
What is the SMILES notation for 2-chloro-1,1,2,2-tetradeuterio-N-(dideuteriomethyl)-N-methylethanamine?
The canonical SMILES for 2-chloro-1,1,2,2-tetradeuterio-N-(dideuteriomethyl)-N-methylethanamine is [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?
The InChIKey is WQMAANNAZKNUDL-ORNWBJTKSA-N. The full InChI is InChI=1S/C4H10ClN/c1-6(2)4-3-5/h3-4H2,1-2H3/i1D2,3D2,4D2.
What are the key properties of 2-chloro-1,1,2,2-tetradeuterio-N-(dideuteriomethyl)-N-methylethanamine?
2-chloro-1,1,2,2-tetradeuterio-N-(dideuteriomethyl)-N-methylethanamine has a molecular weight of 113.62 g/mol, XLogP of 0.79, 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 is sourced from PubChem (CID 131698788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).