4-(diethylamino)-2-methylbutanenitrile

C9H18N2 — CID 56617331

IUPAC4-(diethylamino)-2-methylbutanenitrile
SMILESCCN(CC)CCC(C)C#N
InChIInChI=1S/C9H18N2/c1-4-11(5-2)7-6-9(3)8-10/h9H,4-7H2,1-3H3
InChIKeyIBXARTUUBRQYNZ-UHFFFAOYSA-N
MW154.26 g/mol
LogP1.88
Rot. Bonds5

About 4-(diethylamino)-2-methylbutanenitrile

4-(diethylamino)-2-methylbutanenitrile (PubChem CID 56617331) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 4-(diethylamino)-2-methylbutanenitrile.

Molecular Properties

Compound Name4-(diethylamino)-2-methylbutanenitrile
PubChem CID56617331
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name4-(diethylamino)-2-methylbutanenitrile
SMILESCCN(CC)CCC(C)C#N
InChIInChI=1S/C9H18N2/c1-4-11(5-2)7-6-9(3)8-10/h9H,4-7H2,1-3H3
InChIKeyIBXARTUUBRQYNZ-UHFFFAOYSA-N
XLogP1.88
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)-2-methylbutanenitrile?
The IUPAC name of 4-(diethylamino)-2-methylbutanenitrile (CID 56617331) is 4-(diethylamino)-2-methylbutanenitrile.
What is the SMILES notation for 4-(diethylamino)-2-methylbutanenitrile?
The canonical SMILES for 4-(diethylamino)-2-methylbutanenitrile is CCN(CC)CCC(C)C#N.
What is the InChIKey of 4-(diethylamino)-2-methylbutanenitrile?
The InChIKey is IBXARTUUBRQYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-4-11(5-2)7-6-9(3)8-10/h9H,4-7H2,1-3H3.
What are the key properties of 4-(diethylamino)-2-methylbutanenitrile?
4-(diethylamino)-2-methylbutanenitrile has a molecular weight of 154.26 g/mol, XLogP of 1.88, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)-2-methylbutanenitrile is sourced from PubChem (CID 56617331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).