2-amino-4-[3-(dimethylamino)pyrrolidin-1-yl]-2-methylbutanenitrile

C11H22N4 — CID 63165286

IUPAC2-amino-4-[3-(dimethylamino)pyrrolidin-1-yl]-2-methylbutanenitrile
SMILESCN(C)C1CCN(CCC(C)(N)C#N)C1
InChIInChI=1S/C11H22N4/c1-11(13,9-12)5-7-15-6-4-10(8-15)14(2)3/h10H,4-8,13H2,1-3H3
InChIKeyPWEOIYUTFKJYAR-UHFFFAOYSA-N
MW210.32 g/mol
LogP0.25
Rot. Bonds4

About 2-amino-4-[3-(dimethylamino)pyrrolidin-1-yl]-2-methylbutanenitrile

2-amino-4-[3-(dimethylamino)pyrrolidin-1-yl]-2-methylbutanenitrile (PubChem CID 63165286) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-amino-4-[3-(dimethylamino)pyrrolidin-1-yl]-2-methylbutanenitrile.

Molecular Properties

Compound Name2-amino-4-[3-(dimethylamino)pyrrolidin-1-yl]-2-methylbutanenitrile
PubChem CID63165286
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC Name2-amino-4-[3-(dimethylamino)pyrrolidin-1-yl]-2-methylbutanenitrile
SMILESCN(C)C1CCN(CCC(C)(N)C#N)C1
InChIInChI=1S/C11H22N4/c1-11(13,9-12)5-7-15-6-4-10(8-15)14(2)3/h10H,4-8,13H2,1-3H3
InChIKeyPWEOIYUTFKJYAR-UHFFFAOYSA-N
XLogP0.25
TPSA56.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(dimethylamino)pyrrolidin-1-yl]-2-(ethylamino)-2-methylbutanenitrile
CID 63165334
2-amino-4-[3-(dimethylamino)pyrrolidin-1-yl]-2-phenylbutanenitrile
CID 116692572
2-amino-2-methyl-4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)butanenitrile
CID 81199812
2-amino-4-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methylbutanenitrile
CID 130979620
2-amino-2-methyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butanenitrile
CID 66370572
3-[3-(dimethylamino)pyrrolidin-1-yl]-2-methyl-2-(methylamino)propanenitrile
CID 63165200
1-(4-aminobutyl)-N,N-dimethylpyrrolidin-3-amine
CID 63166062
1-[3-(dimethylamino)pyrrolidin-1-yl]-4,4-dimethylpentan-3-ol
CID 63169311
4-[3-(dimethylamino)pyrrolidin-1-yl]-2-(ethylamino)-2-methylbutan-1-ol
CID 64791718
1-(7-aminoheptyl)-N,N-dimethylpyrrolidin-3-amine
CID 63532634
2-amino-2-methyl-6-(3-phenylpyrrolidin-1-yl)hexanenitrile
CID 62132130
4-[3-(dimethylamino)pyrrolidin-1-yl]-2-(ethylamino)-2-methylbutanoic acid
CID 63165425

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[3-(dimethylamino)pyrrolidin-1-yl]-2-methylbutanenitrile?
The IUPAC name of 2-amino-4-[3-(dimethylamino)pyrrolidin-1-yl]-2-methylbutanenitrile (CID 63165286) is 2-amino-4-[3-(dimethylamino)pyrrolidin-1-yl]-2-methylbutanenitrile.
What is the SMILES notation for 2-amino-4-[3-(dimethylamino)pyrrolidin-1-yl]-2-methylbutanenitrile?
The canonical SMILES for 2-amino-4-[3-(dimethylamino)pyrrolidin-1-yl]-2-methylbutanenitrile is CN(C)C1CCN(CCC(C)(N)C#N)C1.
What is the InChIKey of 2-amino-4-[3-(dimethylamino)pyrrolidin-1-yl]-2-methylbutanenitrile?
The InChIKey is PWEOIYUTFKJYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4/c1-11(13,9-12)5-7-15-6-4-10(8-15)14(2)3/h10H,4-8,13H2,1-3H3.
What are the key properties of 2-amino-4-[3-(dimethylamino)pyrrolidin-1-yl]-2-methylbutanenitrile?
2-amino-4-[3-(dimethylamino)pyrrolidin-1-yl]-2-methylbutanenitrile has a molecular weight of 210.32 g/mol, XLogP of 0.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[3-(dimethylamino)pyrrolidin-1-yl]-2-methylbutanenitrile is sourced from PubChem (CID 63165286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).