2-amino-3-pyrrolidin-3-ylpropanenitrile;dihydrochloride

C7H15Cl2N3 — CID 155858423

IUPAC2-amino-3-pyrrolidin-3-ylpropanenitrile;dihydrochloride
SMILESCl.Cl.N#CC(N)CC1CCNC1
InChIInChI=1S/C7H13N3.2ClH/c8-4-7(9)3-6-1-2-10-5-6;;/h6-7,10H,1-3,5,9H2;2*1H
InChIKeyHJAXSJWIVYDOTG-UHFFFAOYSA-N
MW212.12 g/mol
LogP0.68
Rot. Bonds2

About 2-amino-3-pyrrolidin-3-ylpropanenitrile;dihydrochloride

2-amino-3-pyrrolidin-3-ylpropanenitrile;dihydrochloride (PubChem CID 155858423) has the molecular formula C7H15Cl2N3 and a molecular weight of 212.12 g/mol. Its IUPAC name is 2-amino-3-pyrrolidin-3-ylpropanenitrile;dihydrochloride.

Molecular Properties

Compound Name2-amino-3-pyrrolidin-3-ylpropanenitrile;dihydrochloride
PubChem CID155858423
Molecular FormulaC7H15Cl2N3
Molecular Weight212.12 g/mol
Exact Mass211.06
IUPAC Name2-amino-3-pyrrolidin-3-ylpropanenitrile;dihydrochloride
SMILESCl.Cl.N#CC(N)CC1CCNC1
InChIInChI=1S/C7H13N3.2ClH/c8-4-7(9)3-6-1-2-10-5-6;;/h6-7,10H,1-3,5,9H2;2*1H
InChIKeyHJAXSJWIVYDOTG-UHFFFAOYSA-N
XLogP0.68
TPSA61.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.12
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-3-pyrrolidin-3-ylpropanenitrile;dihydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

(3R)-3-[2-[(3R)-pyrrolidin-3-yl]ethyl]pyrrolidine
CID 129415517
(2S)-2-amino-3-[(3R)-pyrrolidin-3-yl]propanoic acid
CID 86331139
3-pyrrolidin-3-ylpropanenitrile
CID 83669079
1-(4-fluorophenyl)-2-pyrrolidin-3-ylethanamine
CID 116936082
2-fluoro-3-pyrrolidin-3-ylpropanal
CID 105428766
N,N-diethyl-1-pyrrolidin-3-ylpropan-2-amine
CID 105441385
2-pyrrolidin-3-yl-1-(1H-pyrrol-3-yl)ethanamine
CID 116936135
2-pyrrolidin-3-yl-1-thiophen-2-ylethanamine
CID 116936073
3-(2-iodoethyl)pyrrolidine
CID 71648953
ethane;pyrrolidin-3-ylmethanamine
CID 142426131
2-amino-3-piperidin-4-ylpropanal
CID 22642524
3-[(2R)-2-ethylbut-3-enyl]pyrrolidine
CID 155323727

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-pyrrolidin-3-ylpropanenitrile;dihydrochloride?
The IUPAC name of 2-amino-3-pyrrolidin-3-ylpropanenitrile;dihydrochloride (CID 155858423) is 2-amino-3-pyrrolidin-3-ylpropanenitrile;dihydrochloride.
What is the SMILES notation for 2-amino-3-pyrrolidin-3-ylpropanenitrile;dihydrochloride?
The canonical SMILES for 2-amino-3-pyrrolidin-3-ylpropanenitrile;dihydrochloride is Cl.Cl.N#CC(N)CC1CCNC1.
What is the InChIKey of 2-amino-3-pyrrolidin-3-ylpropanenitrile;dihydrochloride?
The InChIKey is HJAXSJWIVYDOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3.2ClH/c8-4-7(9)3-6-1-2-10-5-6;;/h6-7,10H,1-3,5,9H2;2*1H.
What are the key properties of 2-amino-3-pyrrolidin-3-ylpropanenitrile;dihydrochloride?
2-amino-3-pyrrolidin-3-ylpropanenitrile;dihydrochloride has a molecular weight of 212.12 g/mol, XLogP of 0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-pyrrolidin-3-ylpropanenitrile;dihydrochloride is sourced from PubChem (CID 155858423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).