1-(trideuteriomethyl)azetidin-3-amine;dihydrochloride

C4H12Cl2N2 — CID 162341172

IUPAC1-(trideuteriomethyl)azetidin-3-amine;dihydrochloride
SMILESCl.Cl.[2H]C([2H])([2H])N1CC(N)C1
InChIInChI=1S/C4H10N2.2ClH/c1-6-2-4(5)3-6;;/h4H,2-3,5H2,1H3;2*1H/i1D3;;
InChIKeyVVNBEYKDTSEYRZ-GXXYEPOPSA-N
MW162.08 g/mol
LogP0.10
Rot. Bonds1

About 1-(trideuteriomethyl)azetidin-3-amine;dihydrochloride

1-(trideuteriomethyl)azetidin-3-amine;dihydrochloride (PubChem CID 162341172) has the molecular formula C4H12Cl2N2 and a molecular weight of 162.08 g/mol. Its IUPAC name is 1-(trideuteriomethyl)azetidin-3-amine;dihydrochloride.

Molecular Properties

Compound Name1-(trideuteriomethyl)azetidin-3-amine;dihydrochloride
PubChem CID162341172
Molecular FormulaC4H12Cl2N2
Molecular Weight162.08 g/mol
Exact Mass161.06
IUPAC Name1-(trideuteriomethyl)azetidin-3-amine;dihydrochloride
SMILESCl.Cl.[2H]C([2H])([2H])N1CC(N)C1
InChIInChI=1S/C4H10N2.2ClH/c1-6-2-4(5)3-6;;/h4H,2-3,5H2,1H3;2*1H/i1D3;;
InChIKeyVVNBEYKDTSEYRZ-GXXYEPOPSA-N
XLogP0.10
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.08
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(trideuteriomethyl)pyrrolidin-3-amine
CID 171034745
1-propan-2-ylazetidin-3-amine;hydrochloride
CID 134588428
1-(trideuteriomethyl)aziridine
CID 123923638
6-propan-2-yl-3-(trideuteriomethyl)-3,6-diazabicyclo[3.1.1]heptane
CID 170689591
1-methylpyrrolidin-3-amine;sulfanol
CID 143564913
1,3-dimethylpiperidin-4-amine;dihydrochloride
CID 53407082
1-[2-(4-methylpiperazin-1-yl)ethyl]azetidin-3-amine
CID 82891814
(3R)-3-methyl-1-(trideuteriomethyl)piperazine
CID 165429760
ethane;4-methyl-1,4-oxazepan-6-amine
CID 178036626
(4R)-1-methylpiperidine-3,4-diamine
CID 145189555
3-aminoazetidine-1-carboxylic acid;hydrochloride
CID 126721297
methane;[(2S)-4-(trideuteriomethyl)morpholin-2-yl]methanamine
CID 71750470

Frequently Asked Questions

What is the IUPAC name of 1-(trideuteriomethyl)azetidin-3-amine;dihydrochloride?
The IUPAC name of 1-(trideuteriomethyl)azetidin-3-amine;dihydrochloride (CID 162341172) is 1-(trideuteriomethyl)azetidin-3-amine;dihydrochloride.
What is the SMILES notation for 1-(trideuteriomethyl)azetidin-3-amine;dihydrochloride?
The canonical SMILES for 1-(trideuteriomethyl)azetidin-3-amine;dihydrochloride is Cl.Cl.[2H]C([2H])([2H])N1CC(N)C1.
What is the InChIKey of 1-(trideuteriomethyl)azetidin-3-amine;dihydrochloride?
The InChIKey is VVNBEYKDTSEYRZ-GXXYEPOPSA-N. The full InChI is InChI=1S/C4H10N2.2ClH/c1-6-2-4(5)3-6;;/h4H,2-3,5H2,1H3;2*1H/i1D3;;.
What are the key properties of 1-(trideuteriomethyl)azetidin-3-amine;dihydrochloride?
1-(trideuteriomethyl)azetidin-3-amine;dihydrochloride has a molecular weight of 162.08 g/mol, XLogP of 0.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trideuteriomethyl)azetidin-3-amine;dihydrochloride is sourced from PubChem (CID 162341172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).