4-[2-(dimethylamino)ethyl-methylamino]-2-(ethylamino)butanenitrile

C11H24N4 — CID 63700649

IUPAC4-[2-(dimethylamino)ethyl-methylamino]-2-(ethylamino)butanenitrile
SMILESCCNC(C#N)CCN(C)CCN(C)C
InChIInChI=1S/C11H24N4/c1-5-13-11(10-12)6-7-15(4)9-8-14(2)3/h11,13H,5-9H2,1-4H3
InChIKeyOIFKAIPOTQVVKX-UHFFFAOYSA-N
MW212.34 g/mol
LogP0.37
Rot. Bonds8

About 4-[2-(dimethylamino)ethyl-methylamino]-2-(ethylamino)butanenitrile

4-[2-(dimethylamino)ethyl-methylamino]-2-(ethylamino)butanenitrile (PubChem CID 63700649) has the molecular formula C11H24N4 and a molecular weight of 212.34 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethyl-methylamino]-2-(ethylamino)butanenitrile.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethyl-methylamino]-2-(ethylamino)butanenitrile
PubChem CID63700649
Molecular FormulaC11H24N4
Molecular Weight212.34 g/mol
Exact Mass212.20
IUPAC Name4-[2-(dimethylamino)ethyl-methylamino]-2-(ethylamino)butanenitrile
SMILESCCNC(C#N)CCN(C)CCN(C)C
InChIInChI=1S/C11H24N4/c1-5-13-11(10-12)6-7-15(4)9-8-14(2)3/h11,13H,5-9H2,1-4H3
InChIKeyOIFKAIPOTQVVKX-UHFFFAOYSA-N
XLogP0.37
TPSA42.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethyl-methylamino]-2-(ethylamino)butanenitrile?
The IUPAC name of 4-[2-(dimethylamino)ethyl-methylamino]-2-(ethylamino)butanenitrile (CID 63700649) is 4-[2-(dimethylamino)ethyl-methylamino]-2-(ethylamino)butanenitrile.
What is the SMILES notation for 4-[2-(dimethylamino)ethyl-methylamino]-2-(ethylamino)butanenitrile?
The canonical SMILES for 4-[2-(dimethylamino)ethyl-methylamino]-2-(ethylamino)butanenitrile is CCNC(C#N)CCN(C)CCN(C)C.
What is the InChIKey of 4-[2-(dimethylamino)ethyl-methylamino]-2-(ethylamino)butanenitrile?
The InChIKey is OIFKAIPOTQVVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4/c1-5-13-11(10-12)6-7-15(4)9-8-14(2)3/h11,13H,5-9H2,1-4H3.
What are the key properties of 4-[2-(dimethylamino)ethyl-methylamino]-2-(ethylamino)butanenitrile?
4-[2-(dimethylamino)ethyl-methylamino]-2-(ethylamino)butanenitrile has a molecular weight of 212.34 g/mol, XLogP of 0.37, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethyl-methylamino]-2-(ethylamino)butanenitrile is sourced from PubChem (CID 63700649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).