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

C10H19N3 — CID 81464132

IUPAC2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]propanenitrile
SMILESCC1CN(C(C)C#N)CC1N(C)C
InChIInChI=1S/C10H19N3/c1-8-6-13(9(2)5-11)7-10(8)12(3)4/h8-10H,6-7H2,1-4H3
InChIKeyQKMINSRDBVWUKR-UHFFFAOYSA-N
MW181.28 g/mol
LogP0.78
Rot. Bonds2

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

2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]propanenitrile (PubChem CID 81464132) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]propanenitrile.

Molecular Properties

Compound Name2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]propanenitrile
PubChem CID81464132
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]propanenitrile
SMILESCC1CN(C(C)C#N)CC1N(C)C
InChIInChI=1S/C10H19N3/c1-8-6-13(9(2)5-11)7-10(8)12(3)4/h8-10H,6-7H2,1-4H3
InChIKeyQKMINSRDBVWUKR-UHFFFAOYSA-N
XLogP0.78
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]propanenitrile?
The IUPAC name of 2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]propanenitrile (CID 81464132) is 2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]propanenitrile.
What is the SMILES notation for 2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]propanenitrile?
The canonical SMILES for 2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]propanenitrile is CC1CN(C(C)C#N)CC1N(C)C.
What is the InChIKey of 2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]propanenitrile?
The InChIKey is QKMINSRDBVWUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-8-6-13(9(2)5-11)7-10(8)12(3)4/h8-10H,6-7H2,1-4H3.
What are the key properties of 2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]propanenitrile?
2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]propanenitrile has a molecular weight of 181.28 g/mol, XLogP of 0.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]propanenitrile is sourced from PubChem (CID 81464132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).