1-(trideuteriomethyl)pyrrolidin-3-amine

C5H12N2 — CID 171034745

IUPAC1-(trideuteriomethyl)pyrrolidin-3-amine
SMILES[2H]C([2H])([2H])N1CCC(N)C1
InChIInChI=1S/C5H12N2/c1-7-3-2-5(6)4-7/h5H,2-4,6H2,1H3/i1D3
InChIKeyUNHOPMIDKWXFMF-FIBGUPNXSA-N
MW103.18 g/mol
LogP-0.35
Rot. Bonds1

About 1-(trideuteriomethyl)pyrrolidin-3-amine

1-(trideuteriomethyl)pyrrolidin-3-amine (PubChem CID 171034745) has the molecular formula C5H12N2 and a molecular weight of 103.18 g/mol. Its IUPAC name is 1-(trideuteriomethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-(trideuteriomethyl)pyrrolidin-3-amine
PubChem CID171034745
Molecular FormulaC5H12N2
Molecular Weight103.18 g/mol
Exact Mass103.12
IUPAC Name1-(trideuteriomethyl)pyrrolidin-3-amine
SMILES[2H]C([2H])([2H])N1CCC(N)C1
InChIInChI=1S/C5H12N2/c1-7-3-2-5(6)4-7/h5H,2-4,6H2,1H3/i1D3
InChIKeyUNHOPMIDKWXFMF-FIBGUPNXSA-N
XLogP-0.35
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.18
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methylpyrrolidin-3-amine;sulfanol
CID 143564913
1-(trideuteriomethyl)azetidin-3-amine;dihydrochloride
CID 162341172
ethane;1-methylpiperidin-4-amine
CID 123622295
1-(trideuteriomethyl)pyrrolidine-3-carboxylic acid
CID 163343007
(4R)-1-methylpiperidine-3,4-diamine
CID 145189555
2-(3,5-dimethylmorpholin-4-yl)ethanamine;1-methylpyrrolidin-3-amine
CID 158976297
(3R,4R)-1,3-dimethylpiperidin-4-amine
CID 98186941
(3S)-1-ethylpyrrolidin-3-amine
CID 10678211
(4R)-1-methylazocan-4-amine
CID 166102588
1-oxidopyrrolidin-3-amine
CID 163808177
N-methyl-1-phenylmethanamine;1-methylpyrrolidin-3-amine
CID 91098834
(3S)-1-propan-2-ylpyrrolidin-3-amine;dihydrochloride
CID 67298942

Frequently Asked Questions

What is the IUPAC name of 1-(trideuteriomethyl)pyrrolidin-3-amine?
The IUPAC name of 1-(trideuteriomethyl)pyrrolidin-3-amine (CID 171034745) is 1-(trideuteriomethyl)pyrrolidin-3-amine.
What is the SMILES notation for 1-(trideuteriomethyl)pyrrolidin-3-amine?
The canonical SMILES for 1-(trideuteriomethyl)pyrrolidin-3-amine is [2H]C([2H])([2H])N1CCC(N)C1.
What is the InChIKey of 1-(trideuteriomethyl)pyrrolidin-3-amine?
The InChIKey is UNHOPMIDKWXFMF-FIBGUPNXSA-N. The full InChI is InChI=1S/C5H12N2/c1-7-3-2-5(6)4-7/h5H,2-4,6H2,1H3/i1D3.
What are the key properties of 1-(trideuteriomethyl)pyrrolidin-3-amine?
1-(trideuteriomethyl)pyrrolidin-3-amine has a molecular weight of 103.18 g/mol, XLogP of -0.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trideuteriomethyl)pyrrolidin-3-amine is sourced from PubChem (CID 171034745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).