3-[3-(dimethylamino)pyrrolidin-1-yl]-2-methyl-2-(methylamino)propanenitrile

C11H22N4 — CID 63165200

IUPAC3-[3-(dimethylamino)pyrrolidin-1-yl]-2-methyl-2-(methylamino)propanenitrile
SMILESCNC(C)(C#N)CN1CCC(N(C)C)C1
InChIInChI=1S/C11H22N4/c1-11(8-12,13-2)9-15-6-5-10(7-15)14(3)4/h10,13H,5-7,9H2,1-4H3
InChIKeyYETFNNCIEMZNDY-UHFFFAOYSA-N
MW210.32 g/mol
LogP0.12
Rot. Bonds4

About 3-[3-(dimethylamino)pyrrolidin-1-yl]-2-methyl-2-(methylamino)propanenitrile

3-[3-(dimethylamino)pyrrolidin-1-yl]-2-methyl-2-(methylamino)propanenitrile (PubChem CID 63165200) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is 3-[3-(dimethylamino)pyrrolidin-1-yl]-2-methyl-2-(methylamino)propanenitrile.

Molecular Properties

Compound Name3-[3-(dimethylamino)pyrrolidin-1-yl]-2-methyl-2-(methylamino)propanenitrile
PubChem CID63165200
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC Name3-[3-(dimethylamino)pyrrolidin-1-yl]-2-methyl-2-(methylamino)propanenitrile
SMILESCNC(C)(C#N)CN1CCC(N(C)C)C1
InChIInChI=1S/C11H22N4/c1-11(8-12,13-2)9-15-6-5-10(7-15)14(3)4/h10,13H,5-7,9H2,1-4H3
InChIKeyYETFNNCIEMZNDY-UHFFFAOYSA-N
XLogP0.12
TPSA42.30 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 ≤ 50.12
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
3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-methyl-2-(methylamino)propanenitrile
CID 79943938
2-methyl-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-(methylamino)propanenitrile
CID 81199089
2-amino-4-[3-(dimethylamino)pyrrolidin-1-yl]-2-methylbutanenitrile
CID 63165286
3-(3-ethyl-4-methylpiperazin-1-yl)-2-methyl-2-(methylamino)propanenitrile
CID 63634175
2-(ethylamino)-2-methyl-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propanenitrile
CID 79175533
2-amino-3-[3-(dimethylamino)pyrrolidin-1-yl]-2-methylpropanamide
CID 63165428
1-(3-amino-2,2-dimethylbutyl)-N,N-dimethylpiperidin-3-amine
CID 66452822
3-[4-(dimethylamino)piperidin-1-yl]-2-methyl-2-(methylamino)propan-1-ol
CID 64795781
1-[2,2-dimethyl-3-(methylamino)butyl]-N,N-dimethylpiperidin-4-amine
CID 66453838
2-(cyclopropylamino)-3-[3-(dimethylamino)pyrrolidin-1-yl]-2-methylpropanamide
CID 63165424
3-(3-methoxypyrrolidin-1-yl)-2-methyl-2-(propan-2-ylamino)propanenitrile
CID 103537784

Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)pyrrolidin-1-yl]-2-methyl-2-(methylamino)propanenitrile?
The IUPAC name of 3-[3-(dimethylamino)pyrrolidin-1-yl]-2-methyl-2-(methylamino)propanenitrile (CID 63165200) is 3-[3-(dimethylamino)pyrrolidin-1-yl]-2-methyl-2-(methylamino)propanenitrile.
What is the SMILES notation for 3-[3-(dimethylamino)pyrrolidin-1-yl]-2-methyl-2-(methylamino)propanenitrile?
The canonical SMILES for 3-[3-(dimethylamino)pyrrolidin-1-yl]-2-methyl-2-(methylamino)propanenitrile is CNC(C)(C#N)CN1CCC(N(C)C)C1.
What is the InChIKey of 3-[3-(dimethylamino)pyrrolidin-1-yl]-2-methyl-2-(methylamino)propanenitrile?
The InChIKey is YETFNNCIEMZNDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4/c1-11(8-12,13-2)9-15-6-5-10(7-15)14(3)4/h10,13H,5-7,9H2,1-4H3.
What are the key properties of 3-[3-(dimethylamino)pyrrolidin-1-yl]-2-methyl-2-(methylamino)propanenitrile?
3-[3-(dimethylamino)pyrrolidin-1-yl]-2-methyl-2-(methylamino)propanenitrile has a molecular weight of 210.32 g/mol, XLogP of 0.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)pyrrolidin-1-yl]-2-methyl-2-(methylamino)propanenitrile is sourced from PubChem (CID 63165200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).