2-(diethylamino)-2-methylpropanenitrile

C8H16N2 — CID 12570646

IUPAC2-(diethylamino)-2-methylpropanenitrile
SMILESCCN(CC)C(C)(C)C#N
InChIInChI=1S/C8H16N2/c1-5-10(6-2)8(3,4)7-9/h5-6H2,1-4H3
InChIKeyBVKRBMWWTJMEHE-UHFFFAOYSA-N
MW140.23 g/mol
LogP1.63
Rot. Bonds3

About 2-(diethylamino)-2-methylpropanenitrile

2-(diethylamino)-2-methylpropanenitrile (PubChem CID 12570646) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 2-(diethylamino)-2-methylpropanenitrile.

Molecular Properties

Compound Name2-(diethylamino)-2-methylpropanenitrile
PubChem CID12570646
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name2-(diethylamino)-2-methylpropanenitrile
SMILESCCN(CC)C(C)(C)C#N
InChIInChI=1S/C8H16N2/c1-5-10(6-2)8(3,4)7-9/h5-6H2,1-4H3
InChIKeyBVKRBMWWTJMEHE-UHFFFAOYSA-N
XLogP1.63
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-2-methylpropanenitrile?
The IUPAC name of 2-(diethylamino)-2-methylpropanenitrile (CID 12570646) is 2-(diethylamino)-2-methylpropanenitrile.
What is the SMILES notation for 2-(diethylamino)-2-methylpropanenitrile?
The canonical SMILES for 2-(diethylamino)-2-methylpropanenitrile is CCN(CC)C(C)(C)C#N.
What is the InChIKey of 2-(diethylamino)-2-methylpropanenitrile?
The InChIKey is BVKRBMWWTJMEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-5-10(6-2)8(3,4)7-9/h5-6H2,1-4H3.
What are the key properties of 2-(diethylamino)-2-methylpropanenitrile?
2-(diethylamino)-2-methylpropanenitrile has a molecular weight of 140.23 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-2-methylpropanenitrile is sourced from PubChem (CID 12570646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).