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

C14H28N4 — CID 81474468

IUPAC4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-(ethylamino)-2-methylbutanenitrile
SMILESCCNC(C)(C#N)CCN1CC(C)C(N(C)C)C1
InChIInChI=1S/C14H28N4/c1-6-16-14(3,11-15)7-8-18-9-12(2)13(10-18)17(4)5/h12-13,16H,6-10H2,1-5H3
InChIKeyDOMYCSXPIREUAK-UHFFFAOYSA-N
MW252.41 g/mol
LogP1.15
Rot. Bonds6

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

4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-(ethylamino)-2-methylbutanenitrile (PubChem CID 81474468) 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-(ethylamino)-2-methylbutanenitrile.

Molecular Properties

Compound Name4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-(ethylamino)-2-methylbutanenitrile
PubChem CID81474468
Molecular FormulaC14H28N4
Molecular Weight252.41 g/mol
Exact Mass252.23
IUPAC Name4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-(ethylamino)-2-methylbutanenitrile
SMILESCCNC(C)(C#N)CCN1CC(C)C(N(C)C)C1
InChIInChI=1S/C14H28N4/c1-6-16-14(3,11-15)7-8-18-9-12(2)13(10-18)17(4)5/h12-13,16H,6-10H2,1-5H3
InChIKeyDOMYCSXPIREUAK-UHFFFAOYSA-N
XLogP1.15
TPSA42.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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-(ethylamino)-2-methylbutanenitrile?
The IUPAC name of 4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-(ethylamino)-2-methylbutanenitrile (CID 81474468) is 4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-(ethylamino)-2-methylbutanenitrile.
What is the SMILES notation for 4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-(ethylamino)-2-methylbutanenitrile?
The canonical SMILES for 4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-(ethylamino)-2-methylbutanenitrile is CCNC(C)(C#N)CCN1CC(C)C(N(C)C)C1.
What is the InChIKey of 4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-(ethylamino)-2-methylbutanenitrile?
The InChIKey is DOMYCSXPIREUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4/c1-6-16-14(3,11-15)7-8-18-9-12(2)13(10-18)17(4)5/h12-13,16H,6-10H2,1-5H3.
What are the key properties of 4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-(ethylamino)-2-methylbutanenitrile?
4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-(ethylamino)-2-methylbutanenitrile has a molecular weight of 252.41 g/mol, XLogP of 1.15, 6 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-(ethylamino)-2-methylbutanenitrile is sourced from PubChem (CID 81474468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).