3-[3-(1-aminoethyl)pyrrolidin-1-yl]pentanenitrile

C11H21N3 — CID 103976557

IUPAC3-[3-(1-aminoethyl)pyrrolidin-1-yl]pentanenitrile
SMILESCCC(CC#N)N1CCC(C(C)N)C1
InChIInChI=1S/C11H21N3/c1-3-11(4-6-12)14-7-5-10(8-14)9(2)13/h9-11H,3-5,7-8,13H2,1-2H3
InChIKeyJTQXNXFJJWUHAF-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.35
Rot. Bonds4

About 3-[3-(1-aminoethyl)pyrrolidin-1-yl]pentanenitrile

3-[3-(1-aminoethyl)pyrrolidin-1-yl]pentanenitrile (PubChem CID 103976557) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 3-[3-(1-aminoethyl)pyrrolidin-1-yl]pentanenitrile.

Molecular Properties

Compound Name3-[3-(1-aminoethyl)pyrrolidin-1-yl]pentanenitrile
PubChem CID103976557
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name3-[3-(1-aminoethyl)pyrrolidin-1-yl]pentanenitrile
SMILESCCC(CC#N)N1CCC(C(C)N)C1
InChIInChI=1S/C11H21N3/c1-3-11(4-6-12)14-7-5-10(8-14)9(2)13/h9-11H,3-5,7-8,13H2,1-2H3
InChIKeyJTQXNXFJJWUHAF-UHFFFAOYSA-N
XLogP1.35
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-amino-3-ethylpiperidin-1-yl)pentanenitrile
CID 81459571
3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentanenitrile
CID 79174299
3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pentanenitrile
CID 114797618
(1R)-1-[(3R)-1-propan-2-ylpyrrolidin-3-yl]ethanamine
CID 140940785
3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pentanenitrile
CID 63241803
3-[2-(1-aminoethyl)piperidin-1-yl]pentanenitrile
CID 63255646
3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pentanenitrile
CID 79938597
3-[2-(aminomethyl)morpholin-4-yl]pentanenitrile
CID 114398825
3-(4,4-dimethylpiperidin-1-yl)pentanenitrile
CID 62935700
3-[2-(aminomethyl)pyrrolidin-1-yl]pentanenitrile
CID 115312813
3-(4,4-diethylpiperidin-1-yl)pentanenitrile
CID 55218860
3-[4-(1-aminoethyl)piperidin-1-yl]propanenitrile
CID 63597136

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-aminoethyl)pyrrolidin-1-yl]pentanenitrile?
The IUPAC name of 3-[3-(1-aminoethyl)pyrrolidin-1-yl]pentanenitrile (CID 103976557) is 3-[3-(1-aminoethyl)pyrrolidin-1-yl]pentanenitrile.
What is the SMILES notation for 3-[3-(1-aminoethyl)pyrrolidin-1-yl]pentanenitrile?
The canonical SMILES for 3-[3-(1-aminoethyl)pyrrolidin-1-yl]pentanenitrile is CCC(CC#N)N1CCC(C(C)N)C1.
What is the InChIKey of 3-[3-(1-aminoethyl)pyrrolidin-1-yl]pentanenitrile?
The InChIKey is JTQXNXFJJWUHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-3-11(4-6-12)14-7-5-10(8-14)9(2)13/h9-11H,3-5,7-8,13H2,1-2H3.
What are the key properties of 3-[3-(1-aminoethyl)pyrrolidin-1-yl]pentanenitrile?
3-[3-(1-aminoethyl)pyrrolidin-1-yl]pentanenitrile has a molecular weight of 195.31 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-aminoethyl)pyrrolidin-1-yl]pentanenitrile is sourced from PubChem (CID 103976557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).