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

C14H28N4 — CID 81475532

IUPAC4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-(propylamino)butanenitrile
SMILESCCCNC(C#N)CCN1CC(C)C(N(C)C)C1
InChIInChI=1S/C14H28N4/c1-5-7-16-13(9-15)6-8-18-10-12(2)14(11-18)17(3)4/h12-14,16H,5-8,10-11H2,1-4H3
InChIKeyRELGEQLNVQKWKZ-UHFFFAOYSA-N
MW252.41 g/mol
LogP1.15
Rot. Bonds7

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

4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-(propylamino)butanenitrile (PubChem CID 81475532) has the molecular formula C14H28N4 and a molecular weight of 252.41 g/mol. Its IUPAC name is 4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-(propylamino)butanenitrile.

Molecular Properties

Compound Name4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-(propylamino)butanenitrile
PubChem CID81475532
Molecular FormulaC14H28N4
Molecular Weight252.41 g/mol
Exact Mass252.23
IUPAC Name4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-(propylamino)butanenitrile
SMILESCCCNC(C#N)CCN1CC(C)C(N(C)C)C1
InChIInChI=1S/C14H28N4/c1-5-7-16-13(9-15)6-8-18-10-12(2)14(11-18)17(3)4/h12-14,16H,5-8,10-11H2,1-4H3
InChIKeyRELGEQLNVQKWKZ-UHFFFAOYSA-N
XLogP1.15
TPSA42.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-(propylamino)butanenitrile?
The IUPAC name of 4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-(propylamino)butanenitrile (CID 81475532) is 4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-(propylamino)butanenitrile.
What is the SMILES notation for 4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-(propylamino)butanenitrile?
The canonical SMILES for 4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-(propylamino)butanenitrile is CCCNC(C#N)CCN1CC(C)C(N(C)C)C1.
What is the InChIKey of 4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-(propylamino)butanenitrile?
The InChIKey is RELGEQLNVQKWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4/c1-5-7-16-13(9-15)6-8-18-10-12(2)14(11-18)17(3)4/h12-14,16H,5-8,10-11H2,1-4H3.
What are the key properties of 4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-(propylamino)butanenitrile?
4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-(propylamino)butanenitrile has a molecular weight of 252.41 g/mol, XLogP of 1.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-(propylamino)butanenitrile is sourced from PubChem (CID 81475532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).