3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methylpropanenitrile

C11H21N3 — CID 81465098

IUPAC3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methylpropanenitrile
SMILESCC(C#N)CN1CC(C)C(N(C)C)C1
InChIInChI=1S/C11H21N3/c1-9(5-12)6-14-7-10(2)11(8-14)13(3)4/h9-11H,6-8H2,1-4H3
InChIKeyUSNHYQMOUPPWQW-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.03
Rot. Bonds3

About 3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methylpropanenitrile

3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methylpropanenitrile (PubChem CID 81465098) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methylpropanenitrile.

Molecular Properties

Compound Name3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methylpropanenitrile
PubChem CID81465098
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methylpropanenitrile
SMILESCC(C#N)CN1CC(C)C(N(C)C)C1
InChIInChI=1S/C11H21N3/c1-9(5-12)6-14-7-10(2)11(8-14)13(3)4/h9-11H,6-8H2,1-4H3
InChIKeyUSNHYQMOUPPWQW-UHFFFAOYSA-N
XLogP1.03
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methylpropanenitrile?
The IUPAC name of 3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methylpropanenitrile (CID 81465098) is 3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methylpropanenitrile.
What is the SMILES notation for 3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methylpropanenitrile?
The canonical SMILES for 3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methylpropanenitrile is CC(C#N)CN1CC(C)C(N(C)C)C1.
What is the InChIKey of 3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methylpropanenitrile?
The InChIKey is USNHYQMOUPPWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-9(5-12)6-14-7-10(2)11(8-14)13(3)4/h9-11H,6-8H2,1-4H3.
What are the key properties of 3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methylpropanenitrile?
3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methylpropanenitrile has a molecular weight of 195.31 g/mol, XLogP of 1.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methylpropanenitrile is sourced from PubChem (CID 81465098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).