3-[2-(aminomethyl)pyrrolidin-1-yl]propanenitrile

C8H15N3 — CID 73062219

IUPAC3-[2-(aminomethyl)pyrrolidin-1-yl]propanenitrile
SMILESN#CCCN1CCCC1CN
InChIInChI=1S/C8H15N3/c9-4-2-6-11-5-1-3-8(11)7-10/h8H,1-3,5-7,10H2
InChIKeyWYXZUKZRNMWATH-UHFFFAOYSA-N
MW153.23 g/mol
LogP0.32
Rot. Bonds3

About 3-[2-(aminomethyl)pyrrolidin-1-yl]propanenitrile

3-[2-(aminomethyl)pyrrolidin-1-yl]propanenitrile (PubChem CID 73062219) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 3-[2-(aminomethyl)pyrrolidin-1-yl]propanenitrile.

Molecular Properties

Compound Name3-[2-(aminomethyl)pyrrolidin-1-yl]propanenitrile
PubChem CID73062219
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name3-[2-(aminomethyl)pyrrolidin-1-yl]propanenitrile
SMILESN#CCCN1CCCC1CN
InChIInChI=1S/C8H15N3/c9-4-2-6-11-5-1-3-8(11)7-10/h8H,1-3,5-7,10H2
InChIKeyWYXZUKZRNMWATH-UHFFFAOYSA-N
XLogP0.32
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]propanenitrile
CID 45088390
3-[2-[(Z)-but-2-enyl]pyrrolidin-1-yl]propanenitrile
CID 166489126
2-[2-(aminomethyl)pyrrolidin-1-yl]ethanesulfonamide
CID 114385518
[(2R)-1-(3-methylbutyl)pyrrolidin-2-yl]methanamine
CID 93497649
[1-(2-cyclohexylethyl)pyrrolidin-2-yl]methanamine
CID 81493135
(1-nonylpyrrolidin-2-yl)methanamine
CID 19780174
4-[2-[2-(aminomethyl)pyrrolidin-1-yl]ethoxy]benzonitrile
CID 113284475
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(cyanomethyl)acetamide
CID 115312682
ethane;(1-ethylpyrrolidin-2-yl)methanamine
CID 142961136
[(2R)-1-ethylpyrrolidin-2-yl]methanamine;hydrochloride
CID 46738121
[1-(2-ethylsulfanylethyl)pyrrolidin-2-yl]methanamine
CID 112702102
methyl 2-[1-(2-cyanoethyl)piperidin-2-yl]acetate
CID 62028861

Frequently Asked Questions

What is the IUPAC name of 3-[2-(aminomethyl)pyrrolidin-1-yl]propanenitrile?
The IUPAC name of 3-[2-(aminomethyl)pyrrolidin-1-yl]propanenitrile (CID 73062219) is 3-[2-(aminomethyl)pyrrolidin-1-yl]propanenitrile.
What is the SMILES notation for 3-[2-(aminomethyl)pyrrolidin-1-yl]propanenitrile?
The canonical SMILES for 3-[2-(aminomethyl)pyrrolidin-1-yl]propanenitrile is N#CCCN1CCCC1CN.
What is the InChIKey of 3-[2-(aminomethyl)pyrrolidin-1-yl]propanenitrile?
The InChIKey is WYXZUKZRNMWATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c9-4-2-6-11-5-1-3-8(11)7-10/h8H,1-3,5-7,10H2.
What are the key properties of 3-[2-(aminomethyl)pyrrolidin-1-yl]propanenitrile?
3-[2-(aminomethyl)pyrrolidin-1-yl]propanenitrile has a molecular weight of 153.23 g/mol, XLogP of 0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(aminomethyl)pyrrolidin-1-yl]propanenitrile is sourced from PubChem (CID 73062219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).