4-(dimethylamino)-4-(1H-pyrrol-2-yl)butanenitrile

C10H15N3 — CID 116910082

IUPAC4-(dimethylamino)-4-(1H-pyrrol-2-yl)butanenitrile
SMILESCN(C)C(CCC#N)c1ccc[nH]1
InChIInChI=1S/C10H15N3/c1-13(2)10(6-3-7-11)9-5-4-8-12-9/h4-5,8,10,12H,3,6H2,1-2H3
InChIKeyKNDACXTUEHHKDJ-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.92
Rot. Bonds4

About 4-(dimethylamino)-4-(1H-pyrrol-2-yl)butanenitrile

4-(dimethylamino)-4-(1H-pyrrol-2-yl)butanenitrile (PubChem CID 116910082) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is 4-(dimethylamino)-4-(1H-pyrrol-2-yl)butanenitrile.

Molecular Properties

Compound Name4-(dimethylamino)-4-(1H-pyrrol-2-yl)butanenitrile
PubChem CID116910082
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name4-(dimethylamino)-4-(1H-pyrrol-2-yl)butanenitrile
SMILESCN(C)C(CCC#N)c1ccc[nH]1
InChIInChI=1S/C10H15N3/c1-13(2)10(6-3-7-11)9-5-4-8-12-9/h4-5,8,10,12H,3,6H2,1-2H3
InChIKeyKNDACXTUEHHKDJ-UHFFFAOYSA-N
XLogP1.92
TPSA42.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-1-(1H-pyrrol-2-yl)butane-1,4-diamine
CID 116905151
4-(dimethylamino)-4-phenylbutanenitrile
CID 116910022
3-(dimethylamino)-2,2-dimethyl-3-(1H-pyrrol-2-yl)propanenitrile
CID 116910428
4-(dimethylamino)-4-(2,3,4-trimethylphenyl)butanenitrile
CID 116910142
N,N-dimethyl-2-piperidin-2-yl-1-(1H-pyrrol-2-yl)ethanamine
CID 116906796
4-[methyl(1H-pyrrol-2-ylmethyl)amino]butanenitrile
CID 115231821
2-(ethylamino)-2-(1H-pyrrol-2-yl)acetonitrile
CID 84816713
2-(3-methylbutylamino)-2-(1H-pyrrol-2-yl)acetonitrile
CID 84817813
3-[5-[2-cyano-1-(1H-pyrrol-2-yl)ethyl]-1H-pyrrol-2-yl]-3-(1H-pyrrol-2-yl)propanenitrile
CID 11243615
2-[[2-amino-1-(1H-pyrrol-2-yl)ethyl]-methylamino]ethanol
CID 82040464
4-(dimethylamino)-5,5-diphenylpentanenitrile
CID 70588560
2-(dimethylamino)-2-(1H-pyrrol-2-yl)acetaldehyde
CID 116908648

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-4-(1H-pyrrol-2-yl)butanenitrile?
The IUPAC name of 4-(dimethylamino)-4-(1H-pyrrol-2-yl)butanenitrile (CID 116910082) is 4-(dimethylamino)-4-(1H-pyrrol-2-yl)butanenitrile.
What is the SMILES notation for 4-(dimethylamino)-4-(1H-pyrrol-2-yl)butanenitrile?
The canonical SMILES for 4-(dimethylamino)-4-(1H-pyrrol-2-yl)butanenitrile is CN(C)C(CCC#N)c1ccc[nH]1.
What is the InChIKey of 4-(dimethylamino)-4-(1H-pyrrol-2-yl)butanenitrile?
The InChIKey is KNDACXTUEHHKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3/c1-13(2)10(6-3-7-11)9-5-4-8-12-9/h4-5,8,10,12H,3,6H2,1-2H3.
What are the key properties of 4-(dimethylamino)-4-(1H-pyrrol-2-yl)butanenitrile?
4-(dimethylamino)-4-(1H-pyrrol-2-yl)butanenitrile has a molecular weight of 177.25 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-4-(1H-pyrrol-2-yl)butanenitrile is sourced from PubChem (CID 116910082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).