[1-(1,1,2,2,2-pentadeuterioethyl)pyrrolidin-2-yl]methanamine

C7H16N2 — CID 59293958

IUPAC[1-(1,1,2,2,2-pentadeuterioethyl)pyrrolidin-2-yl]methanamine
SMILES[2H]C([2H])([2H])C([2H])([2H])N1CCCC1CN
InChIInChI=1S/C7H16N2/c1-2-9-5-3-4-7(9)6-8/h7H,2-6,8H2,1H3/i1D3,2D2
InChIKeyUNRBEYYLYRXYCG-ZBJDZAJPSA-N
MW133.25 g/mol
LogP0.43
Rot. Bonds3

About [1-(1,1,2,2,2-pentadeuterioethyl)pyrrolidin-2-yl]methanamine

[1-(1,1,2,2,2-pentadeuterioethyl)pyrrolidin-2-yl]methanamine (PubChem CID 59293958) has the molecular formula C7H16N2 and a molecular weight of 133.25 g/mol. Its IUPAC name is [1-(1,1,2,2,2-pentadeuterioethyl)pyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-(1,1,2,2,2-pentadeuterioethyl)pyrrolidin-2-yl]methanamine
PubChem CID59293958
Molecular FormulaC7H16N2
Molecular Weight133.25 g/mol
Exact Mass133.16
IUPAC Name[1-(1,1,2,2,2-pentadeuterioethyl)pyrrolidin-2-yl]methanamine
SMILES[2H]C([2H])([2H])C([2H])([2H])N1CCCC1CN
InChIInChI=1S/C7H16N2/c1-2-9-5-3-4-7(9)6-8/h7H,2-6,8H2,1H3/i1D3,2D2
InChIKeyUNRBEYYLYRXYCG-ZBJDZAJPSA-N
XLogP0.43
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.25
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;(1-ethylpyrrolidin-2-yl)methanamine
CID 142961136
[(2R)-1-ethylpyrrolidin-2-yl]methanamine;hydrochloride
CID 46738121
ethane;(1-ethylpyrrolidin-2-yl)methanamine;methane
CID 142875932
1-(1,1,2,2,2-pentadeuterioethyl)pyrrolidine-2-carboxamide
CID 59293963
(1-nonylpyrrolidin-2-yl)methanamine
CID 19780174
[(2R)-1-(3-methylbutyl)pyrrolidin-2-yl]methanamine
CID 93497649
[1-(2-ethylsulfanylethyl)pyrrolidin-2-yl]methanamine
CID 112702102
[1-(4-methylsulfanylbutyl)pyrrolidin-2-yl]methanamine
CID 103089527
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-methylpropan-2-ol
CID 82503310
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-propan-2-ylacetamide
CID 63759548
2-[2-(aminomethyl)pyrrolidin-1-yl]-N,N-di(propan-2-yl)acetamide;hydrochloride
CID 119926999
2-[2-(aminomethyl)pyrrolidin-1-yl]-1-(azetidin-1-yl)ethanone
CID 82505741

Frequently Asked Questions

What is the IUPAC name of [1-(1,1,2,2,2-pentadeuterioethyl)pyrrolidin-2-yl]methanamine?
The IUPAC name of [1-(1,1,2,2,2-pentadeuterioethyl)pyrrolidin-2-yl]methanamine (CID 59293958) is [1-(1,1,2,2,2-pentadeuterioethyl)pyrrolidin-2-yl]methanamine.
What is the SMILES notation for [1-(1,1,2,2,2-pentadeuterioethyl)pyrrolidin-2-yl]methanamine?
The canonical SMILES for [1-(1,1,2,2,2-pentadeuterioethyl)pyrrolidin-2-yl]methanamine is [2H]C([2H])([2H])C([2H])([2H])N1CCCC1CN.
What is the InChIKey of [1-(1,1,2,2,2-pentadeuterioethyl)pyrrolidin-2-yl]methanamine?
The InChIKey is UNRBEYYLYRXYCG-ZBJDZAJPSA-N. The full InChI is InChI=1S/C7H16N2/c1-2-9-5-3-4-7(9)6-8/h7H,2-6,8H2,1H3/i1D3,2D2.
What are the key properties of [1-(1,1,2,2,2-pentadeuterioethyl)pyrrolidin-2-yl]methanamine?
[1-(1,1,2,2,2-pentadeuterioethyl)pyrrolidin-2-yl]methanamine has a molecular weight of 133.25 g/mol, XLogP of 0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,1,2,2,2-pentadeuterioethyl)pyrrolidin-2-yl]methanamine is sourced from PubChem (CID 59293958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).