3-(1-pyrrolidin-1-ylpropan-2-ylamino)butanenitrile

C11H21N3 — CID 61473651

IUPAC3-(1-pyrrolidin-1-ylpropan-2-ylamino)butanenitrile
SMILESCC(CC#N)NC(C)CN1CCCC1
InChIInChI=1S/C11H21N3/c1-10(5-6-12)13-11(2)9-14-7-3-4-8-14/h10-11,13H,3-5,7-9H2,1-2H3
InChIKeyJFVAGEPMAQURLD-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.36
Rot. Bonds5

About 3-(1-pyrrolidin-1-ylpropan-2-ylamino)butanenitrile

3-(1-pyrrolidin-1-ylpropan-2-ylamino)butanenitrile (PubChem CID 61473651) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 3-(1-pyrrolidin-1-ylpropan-2-ylamino)butanenitrile.

Molecular Properties

Compound Name3-(1-pyrrolidin-1-ylpropan-2-ylamino)butanenitrile
PubChem CID61473651
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name3-(1-pyrrolidin-1-ylpropan-2-ylamino)butanenitrile
SMILESCC(CC#N)NC(C)CN1CCCC1
InChIInChI=1S/C11H21N3/c1-10(5-6-12)13-11(2)9-14-7-3-4-8-14/h10-11,13H,3-5,7-9H2,1-2H3
InChIKeyJFVAGEPMAQURLD-UHFFFAOYSA-N
XLogP1.36
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-(propan-2-ylamino)butanenitrile
CID 93383160
4-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pentan-2-amine
CID 61471885
5-methyl-N-(1-piperidin-1-ylpropan-2-yl)hexan-2-amine
CID 43749079
3-(1-methoxypropan-2-ylamino)butanenitrile
CID 60914477
3-methoxy-N-(1-pyrrolidin-1-ylpropan-2-yl)butan-2-amine
CID 115919081
(2S)-N-phosphanyl-1-pyrrolidin-1-ylpropan-2-amine
CID 143859597
N-(2-fluoroethyl)-1-pyrrolidin-1-ylpropan-2-amine
CID 80693865
N-(1-pyrrolidin-1-ylpropan-2-yl)but-3-en-2-amine
CID 107906758
2-[4-[(1-pyrrolidin-1-ylpropan-2-ylamino)methyl]phenoxy]acetonitrile
CID 61223958
3-methyl-N-(1-piperidin-1-ylpropan-2-yl)butan-1-amine
CID 43434983
3-methyl-4-piperazin-1-ylbutanenitrile
CID 82503061
2-methyl-N-(1-piperidin-1-ylpropan-2-yl)butan-1-amine
CID 43749022

Frequently Asked Questions

What is the IUPAC name of 3-(1-pyrrolidin-1-ylpropan-2-ylamino)butanenitrile?
The IUPAC name of 3-(1-pyrrolidin-1-ylpropan-2-ylamino)butanenitrile (CID 61473651) is 3-(1-pyrrolidin-1-ylpropan-2-ylamino)butanenitrile.
What is the SMILES notation for 3-(1-pyrrolidin-1-ylpropan-2-ylamino)butanenitrile?
The canonical SMILES for 3-(1-pyrrolidin-1-ylpropan-2-ylamino)butanenitrile is CC(CC#N)NC(C)CN1CCCC1.
What is the InChIKey of 3-(1-pyrrolidin-1-ylpropan-2-ylamino)butanenitrile?
The InChIKey is JFVAGEPMAQURLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-10(5-6-12)13-11(2)9-14-7-3-4-8-14/h10-11,13H,3-5,7-9H2,1-2H3.
What are the key properties of 3-(1-pyrrolidin-1-ylpropan-2-ylamino)butanenitrile?
3-(1-pyrrolidin-1-ylpropan-2-ylamino)butanenitrile has a molecular weight of 195.31 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-pyrrolidin-1-ylpropan-2-ylamino)butanenitrile is sourced from PubChem (CID 61473651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).