1,1,1-trideuterio-N,N-bis(trideuteriomethyl)methan(15N)amine;hydrochloride

C3H10ClN — CID 87229238

IUPAC1,1,1-trideuterio-N,N-bis(trideuteriomethyl)methan(15N)amine;hydrochloride
SMILESCl.[2H]C([2H])([2H])[15N](C([2H])([2H])[2H])C([2H])([2H])[2H]
InChIInChI=1S/C3H9N.ClH/c1-4(2)3;/h1-3H3;1H/i1D3,2D3,3D3,4+1;
InChIKeySZYJELPVAFJOGJ-VHOVMADBSA-N
MW105.62 g/mol
LogP0.60
Rot. Bonds3

About 1,1,1-trideuterio-N,N-bis(trideuteriomethyl)methan(15N)amine;hydrochloride

1,1,1-trideuterio-N,N-bis(trideuteriomethyl)methan(15N)amine;hydrochloride (PubChem CID 87229238) has the molecular formula C3H10ClN and a molecular weight of 105.62 g/mol. Its IUPAC name is 1,1,1-trideuterio-N,N-bis(trideuteriomethyl)methan(15N)amine;hydrochloride.

Molecular Properties

Compound Name1,1,1-trideuterio-N,N-bis(trideuteriomethyl)methan(15N)amine;hydrochloride
PubChem CID87229238
Molecular FormulaC3H10ClN
Molecular Weight105.62 g/mol
Exact Mass105.10
IUPAC Name1,1,1-trideuterio-N,N-bis(trideuteriomethyl)methan(15N)amine;hydrochloride
SMILESCl.[2H]C([2H])([2H])[15N](C([2H])([2H])[2H])C([2H])([2H])[2H]
InChIInChI=1S/C3H9N.ClH/c1-4(2)3;/h1-3H3;1H/i1D3,2D3,3D3,4+1;
InChIKeySZYJELPVAFJOGJ-VHOVMADBSA-N
XLogP0.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.62
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,1,1-trideuterio-N,N-bis(trideuteriomethyl)methan(15N)amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trideuterio-N,N-bis(trideuteriomethyl)methan(15N)amine;hydrochloride?
The IUPAC name of 1,1,1-trideuterio-N,N-bis(trideuteriomethyl)methan(15N)amine;hydrochloride (CID 87229238) is 1,1,1-trideuterio-N,N-bis(trideuteriomethyl)methan(15N)amine;hydrochloride.
What is the SMILES notation for 1,1,1-trideuterio-N,N-bis(trideuteriomethyl)methan(15N)amine;hydrochloride?
The canonical SMILES for 1,1,1-trideuterio-N,N-bis(trideuteriomethyl)methan(15N)amine;hydrochloride is Cl.[2H]C([2H])([2H])[15N](C([2H])([2H])[2H])C([2H])([2H])[2H].
What is the InChIKey of 1,1,1-trideuterio-N,N-bis(trideuteriomethyl)methan(15N)amine;hydrochloride?
The InChIKey is SZYJELPVAFJOGJ-VHOVMADBSA-N. The full InChI is InChI=1S/C3H9N.ClH/c1-4(2)3;/h1-3H3;1H/i1D3,2D3,3D3,4+1;.
What are the key properties of 1,1,1-trideuterio-N,N-bis(trideuteriomethyl)methan(15N)amine;hydrochloride?
1,1,1-trideuterio-N,N-bis(trideuteriomethyl)methan(15N)amine;hydrochloride has a molecular weight of 105.62 g/mol, XLogP of 0.60, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trideuterio-N,N-bis(trideuteriomethyl)methan(15N)amine;hydrochloride is sourced from PubChem (CID 87229238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).