1,1-dideuterio-N,2,2-trimethyl-N-(trideuteriomethyl)propan-1-amine

C7H17N — CID 171606573

IUPAC1,1-dideuterio-N,2,2-trimethyl-N-(trideuteriomethyl)propan-1-amine
SMILES[2H]C([2H])([2H])N(C)C([2H])([2H])C(C)(C)C
InChIInChI=1S/C7H17N/c1-7(2,3)6-8(4)5/h6H2,1-5H3/i4D3,6D2
InChIKeyFUIRUFXAVIHAQB-NSMKSNBVSA-N
MW120.25 g/mol
LogP1.59
Rot. Bonds2

About 1,1-dideuterio-N,2,2-trimethyl-N-(trideuteriomethyl)propan-1-amine

1,1-dideuterio-N,2,2-trimethyl-N-(trideuteriomethyl)propan-1-amine (PubChem CID 171606573) has the molecular formula C7H17N and a molecular weight of 120.25 g/mol. Its IUPAC name is 1,1-dideuterio-N,2,2-trimethyl-N-(trideuteriomethyl)propan-1-amine.

Molecular Properties

Compound Name1,1-dideuterio-N,2,2-trimethyl-N-(trideuteriomethyl)propan-1-amine
PubChem CID171606573
Molecular FormulaC7H17N
Molecular Weight120.25 g/mol
Exact Mass120.17
IUPAC Name1,1-dideuterio-N,2,2-trimethyl-N-(trideuteriomethyl)propan-1-amine
SMILES[2H]C([2H])([2H])N(C)C([2H])([2H])C(C)(C)C
InChIInChI=1S/C7H17N/c1-7(2,3)6-8(4)5/h6H2,1-5H3/i4D3,6D2
InChIKeyFUIRUFXAVIHAQB-NSMKSNBVSA-N
XLogP1.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.25
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-amino-1,1-dideuterio-2-methylpropan-1-ol
CID 140648531
methane;N,N,2,2-tetramethylpropan-1-amine
CID 160781651
1,1,1,3,3,4,4,6,6,6-decadeuterio-2,5-dimethyl-2,5-bis(trideuteriomethyl)hexane
CID 176822398
3-deuterio-2,2-dimethylbutane
CID 164727472
1-[bis(trideuteriomethyl)amino]propan-2-ol
CID 121487893
lithium;hydride;N,N,2,2-tetramethylpropan-1-amine
CID 174663551
2-[(2-methylpropan-2-yl)oxycarbonyl-(trideuteriomethyl)amino]acetic acid
CID 121439864
2-chloro-1,1,2,2-tetradeuterio-N-(dideuteriomethyl)-N-methylethanamine
CID 131698788
1,1,1,3,3-pentadeuterio-2,4,4-trimethylpentan-2-ol
CID 162034514
dimethylaminomethanol;zinc
CID 87991931
2-chloro-1,1,2,2-tetradeuterio-N-(dideuteriomethyl)-N-methylethanamine;hydrochloride
CID 131698787
N,2,2-trimethyl-N-(trideuteriomethyl)propanamide
CID 157366464

Frequently Asked Questions

What is the IUPAC name of 1,1-dideuterio-N,2,2-trimethyl-N-(trideuteriomethyl)propan-1-amine?
The IUPAC name of 1,1-dideuterio-N,2,2-trimethyl-N-(trideuteriomethyl)propan-1-amine (CID 171606573) is 1,1-dideuterio-N,2,2-trimethyl-N-(trideuteriomethyl)propan-1-amine.
What is the SMILES notation for 1,1-dideuterio-N,2,2-trimethyl-N-(trideuteriomethyl)propan-1-amine?
The canonical SMILES for 1,1-dideuterio-N,2,2-trimethyl-N-(trideuteriomethyl)propan-1-amine is [2H]C([2H])([2H])N(C)C([2H])([2H])C(C)(C)C.
What is the InChIKey of 1,1-dideuterio-N,2,2-trimethyl-N-(trideuteriomethyl)propan-1-amine?
The InChIKey is FUIRUFXAVIHAQB-NSMKSNBVSA-N. The full InChI is InChI=1S/C7H17N/c1-7(2,3)6-8(4)5/h6H2,1-5H3/i4D3,6D2.
What are the key properties of 1,1-dideuterio-N,2,2-trimethyl-N-(trideuteriomethyl)propan-1-amine?
1,1-dideuterio-N,2,2-trimethyl-N-(trideuteriomethyl)propan-1-amine has a molecular weight of 120.25 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dideuterio-N,2,2-trimethyl-N-(trideuteriomethyl)propan-1-amine is sourced from PubChem (CID 171606573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).