3-(diethylamino)-2-methylpropanenitrile

C8H16N2 — CID 6454522

IUPAC3-(diethylamino)-2-methylpropanenitrile
SMILESCCN(CC)CC(C)C#N
InChIInChI=1S/C8H16N2/c1-4-10(5-2)7-8(3)6-9/h8H,4-5,7H2,1-3H3
InChIKeyLFAMJCGXIZVVRM-UHFFFAOYSA-N
MW140.23 g/mol
LogP1.49
Rot. Bonds4

About 3-(diethylamino)-2-methylpropanenitrile

3-(diethylamino)-2-methylpropanenitrile (PubChem CID 6454522) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 3-(diethylamino)-2-methylpropanenitrile.

Molecular Properties

Compound Name3-(diethylamino)-2-methylpropanenitrile
PubChem CID6454522
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name3-(diethylamino)-2-methylpropanenitrile
SMILESCCN(CC)CC(C)C#N
InChIInChI=1S/C8H16N2/c1-4-10(5-2)7-8(3)6-9/h8H,4-5,7H2,1-3H3
InChIKeyLFAMJCGXIZVVRM-UHFFFAOYSA-N
XLogP1.49
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)-2-methylpropanenitrile?
The IUPAC name of 3-(diethylamino)-2-methylpropanenitrile (CID 6454522) is 3-(diethylamino)-2-methylpropanenitrile.
What is the SMILES notation for 3-(diethylamino)-2-methylpropanenitrile?
The canonical SMILES for 3-(diethylamino)-2-methylpropanenitrile is CCN(CC)CC(C)C#N.
What is the InChIKey of 3-(diethylamino)-2-methylpropanenitrile?
The InChIKey is LFAMJCGXIZVVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-4-10(5-2)7-8(3)6-9/h8H,4-5,7H2,1-3H3.
What are the key properties of 3-(diethylamino)-2-methylpropanenitrile?
3-(diethylamino)-2-methylpropanenitrile has a molecular weight of 140.23 g/mol, XLogP of 1.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)-2-methylpropanenitrile is sourced from PubChem (CID 6454522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).