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

C13H26N4 — CID 63165334

IUPAC4-[3-(dimethylamino)pyrrolidin-1-yl]-2-(ethylamino)-2-methylbutanenitrile
SMILESCCNC(C)(C#N)CCN1CCC(N(C)C)C1
InChIInChI=1S/C13H26N4/c1-5-15-13(2,11-14)7-9-17-8-6-12(10-17)16(3)4/h12,15H,5-10H2,1-4H3
InChIKeyJTZMEHHLYVXTBX-UHFFFAOYSA-N
MW238.38 g/mol
LogP0.90
Rot. Bonds6

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

4-[3-(dimethylamino)pyrrolidin-1-yl]-2-(ethylamino)-2-methylbutanenitrile (PubChem CID 63165334) has the molecular formula C13H26N4 and a molecular weight of 238.38 g/mol. Its IUPAC name is 4-[3-(dimethylamino)pyrrolidin-1-yl]-2-(ethylamino)-2-methylbutanenitrile.

Molecular Properties

Compound Name4-[3-(dimethylamino)pyrrolidin-1-yl]-2-(ethylamino)-2-methylbutanenitrile
PubChem CID63165334
Molecular FormulaC13H26N4
Molecular Weight238.38 g/mol
Exact Mass238.22
IUPAC Name4-[3-(dimethylamino)pyrrolidin-1-yl]-2-(ethylamino)-2-methylbutanenitrile
SMILESCCNC(C)(C#N)CCN1CCC(N(C)C)C1
InChIInChI=1S/C13H26N4/c1-5-15-13(2,11-14)7-9-17-8-6-12(10-17)16(3)4/h12,15H,5-10H2,1-4H3
InChIKeyJTZMEHHLYVXTBX-UHFFFAOYSA-N
XLogP0.90
TPSA42.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-(ethylamino)-2-methylbutanenitrile
CID 81474468
4-[3-(dimethylamino)pyrrolidin-1-yl]-2-(ethylamino)-2-methylbutanoic acid
CID 63165425
2-amino-4-[3-(dimethylamino)pyrrolidin-1-yl]-2-methylbutanenitrile
CID 63165286
4-[3-(dimethylamino)pyrrolidin-1-yl]-2-(ethylamino)-2-methylbutan-1-ol
CID 64791718
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(ethylamino)-2-methylbutanenitrile
CID 79943625
4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-(ethylamino)-2-methylbutanenitrile
CID 62888834
3-[3-(dimethylamino)pyrrolidin-1-yl]-2-methyl-2-(methylamino)propanenitrile
CID 63165200
2-(ethylamino)-5-(3-ethylpyrrolidin-1-yl)-2-methylpentanenitrile
CID 113418574
6-[3-(dimethylamino)pyrrolidin-1-yl]-2-(ethylamino)-2-methylhexanoic acid
CID 63165554
2-(ethylamino)-2-methyl-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propanenitrile
CID 79175533
2-(ethylamino)-2-methyl-5-(3-morpholin-4-ylpyrrolidin-1-yl)pentanenitrile
CID 63171363
ethyl 5-[3-(dimethylamino)pyrrolidin-1-yl]-2-(ethylamino)-2-methylpentanoate
CID 63165725

Frequently Asked Questions

What is the IUPAC name of 4-[3-(dimethylamino)pyrrolidin-1-yl]-2-(ethylamino)-2-methylbutanenitrile?
The IUPAC name of 4-[3-(dimethylamino)pyrrolidin-1-yl]-2-(ethylamino)-2-methylbutanenitrile (CID 63165334) is 4-[3-(dimethylamino)pyrrolidin-1-yl]-2-(ethylamino)-2-methylbutanenitrile.
What is the SMILES notation for 4-[3-(dimethylamino)pyrrolidin-1-yl]-2-(ethylamino)-2-methylbutanenitrile?
The canonical SMILES for 4-[3-(dimethylamino)pyrrolidin-1-yl]-2-(ethylamino)-2-methylbutanenitrile is CCNC(C)(C#N)CCN1CCC(N(C)C)C1.
What is the InChIKey of 4-[3-(dimethylamino)pyrrolidin-1-yl]-2-(ethylamino)-2-methylbutanenitrile?
The InChIKey is JTZMEHHLYVXTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4/c1-5-15-13(2,11-14)7-9-17-8-6-12(10-17)16(3)4/h12,15H,5-10H2,1-4H3.
What are the key properties of 4-[3-(dimethylamino)pyrrolidin-1-yl]-2-(ethylamino)-2-methylbutanenitrile?
4-[3-(dimethylamino)pyrrolidin-1-yl]-2-(ethylamino)-2-methylbutanenitrile has a molecular weight of 238.38 g/mol, XLogP of 0.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dimethylamino)pyrrolidin-1-yl]-2-(ethylamino)-2-methylbutanenitrile is sourced from PubChem (CID 63165334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).