2-ethyl-2-(3-methylbutyl)propanedinitrile

C10H16N2 — CID 3029224

IUPAC2-ethyl-2-(3-methylbutyl)propanedinitrile
SMILESCCC(C#N)(C#N)CCC(C)C
InChIInChI=1S/C10H16N2/c1-4-10(7-11,8-12)6-5-9(2)3/h9H,4-6H2,1-3H3
InChIKeyYAQOVAPBFCBSTO-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.87
Rot. Bonds4

About 2-ethyl-2-(3-methylbutyl)propanedinitrile

2-ethyl-2-(3-methylbutyl)propanedinitrile (PubChem CID 3029224) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 2-ethyl-2-(3-methylbutyl)propanedinitrile.

Molecular Properties

Compound Name2-ethyl-2-(3-methylbutyl)propanedinitrile
PubChem CID3029224
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name2-ethyl-2-(3-methylbutyl)propanedinitrile
SMILESCCC(C#N)(C#N)CCC(C)C
InChIInChI=1S/C10H16N2/c1-4-10(7-11,8-12)6-5-9(2)3/h9H,4-6H2,1-3H3
InChIKeyYAQOVAPBFCBSTO-UHFFFAOYSA-N
XLogP2.87
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(3-methylbutyl)propanedinitrile?
The IUPAC name of 2-ethyl-2-(3-methylbutyl)propanedinitrile (CID 3029224) is 2-ethyl-2-(3-methylbutyl)propanedinitrile.
What is the SMILES notation for 2-ethyl-2-(3-methylbutyl)propanedinitrile?
The canonical SMILES for 2-ethyl-2-(3-methylbutyl)propanedinitrile is CCC(C#N)(C#N)CCC(C)C.
What is the InChIKey of 2-ethyl-2-(3-methylbutyl)propanedinitrile?
The InChIKey is YAQOVAPBFCBSTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-4-10(7-11,8-12)6-5-9(2)3/h9H,4-6H2,1-3H3.
What are the key properties of 2-ethyl-2-(3-methylbutyl)propanedinitrile?
2-ethyl-2-(3-methylbutyl)propanedinitrile has a molecular weight of 164.25 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(3-methylbutyl)propanedinitrile is sourced from PubChem (CID 3029224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).