2-(dimethylamino)-3-(2-methylprop-1-enyl)butanedinitrile

C10H15N3 — CID 10654890

IUPAC2-(dimethylamino)-3-(2-methylprop-1-enyl)butanedinitrile
SMILESCC(C)=CC(C#N)C(C#N)N(C)C
InChIInChI=1S/C10H15N3/c1-8(2)5-9(6-11)10(7-12)13(3)4/h5,9-10H,1-4H3
InChIKeyUKKWNFFFICCAMA-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.55
Rot. Bonds3

About 2-(dimethylamino)-3-(2-methylprop-1-enyl)butanedinitrile

2-(dimethylamino)-3-(2-methylprop-1-enyl)butanedinitrile (PubChem CID 10654890) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is 2-(dimethylamino)-3-(2-methylprop-1-enyl)butanedinitrile.

Molecular Properties

Compound Name2-(dimethylamino)-3-(2-methylprop-1-enyl)butanedinitrile
PubChem CID10654890
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name2-(dimethylamino)-3-(2-methylprop-1-enyl)butanedinitrile
SMILESCC(C)=CC(C#N)C(C#N)N(C)C
InChIInChI=1S/C10H15N3/c1-8(2)5-9(6-11)10(7-12)13(3)4/h5,9-10H,1-4H3
InChIKeyUKKWNFFFICCAMA-UHFFFAOYSA-N
XLogP1.55
TPSA50.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-3-(2-methylprop-1-enyl)butanedinitrile?
The IUPAC name of 2-(dimethylamino)-3-(2-methylprop-1-enyl)butanedinitrile (CID 10654890) is 2-(dimethylamino)-3-(2-methylprop-1-enyl)butanedinitrile.
What is the SMILES notation for 2-(dimethylamino)-3-(2-methylprop-1-enyl)butanedinitrile?
The canonical SMILES for 2-(dimethylamino)-3-(2-methylprop-1-enyl)butanedinitrile is CC(C)=CC(C#N)C(C#N)N(C)C.
What is the InChIKey of 2-(dimethylamino)-3-(2-methylprop-1-enyl)butanedinitrile?
The InChIKey is UKKWNFFFICCAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3/c1-8(2)5-9(6-11)10(7-12)13(3)4/h5,9-10H,1-4H3.
What are the key properties of 2-(dimethylamino)-3-(2-methylprop-1-enyl)butanedinitrile?
2-(dimethylamino)-3-(2-methylprop-1-enyl)butanedinitrile has a molecular weight of 177.25 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-3-(2-methylprop-1-enyl)butanedinitrile is sourced from PubChem (CID 10654890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).