2-(diethylamino)prop-2-enenitrile

C7H12N2 — CID 21469938

IUPAC2-(diethylamino)prop-2-enenitrile
SMILESC=C(C#N)N(CC)CC
InChIInChI=1S/C7H12N2/c1-4-9(5-2)7(3)6-8/h3-5H2,1-2H3
InChIKeyWOLBRONLFAYLEM-UHFFFAOYSA-N
MW124.19 g/mol
LogP1.37
Rot. Bonds3

About 2-(diethylamino)prop-2-enenitrile

2-(diethylamino)prop-2-enenitrile (PubChem CID 21469938) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 2-(diethylamino)prop-2-enenitrile.

Molecular Properties

Compound Name2-(diethylamino)prop-2-enenitrile
PubChem CID21469938
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name2-(diethylamino)prop-2-enenitrile
SMILESC=C(C#N)N(CC)CC
InChIInChI=1S/C7H12N2/c1-4-9(5-2)7(3)6-8/h3-5H2,1-2H3
InChIKeyWOLBRONLFAYLEM-UHFFFAOYSA-N
XLogP1.37
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)prop-2-enenitrile?
The IUPAC name of 2-(diethylamino)prop-2-enenitrile (CID 21469938) is 2-(diethylamino)prop-2-enenitrile.
What is the SMILES notation for 2-(diethylamino)prop-2-enenitrile?
The canonical SMILES for 2-(diethylamino)prop-2-enenitrile is C=C(C#N)N(CC)CC.
What is the InChIKey of 2-(diethylamino)prop-2-enenitrile?
The InChIKey is WOLBRONLFAYLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-4-9(5-2)7(3)6-8/h3-5H2,1-2H3.
What are the key properties of 2-(diethylamino)prop-2-enenitrile?
2-(diethylamino)prop-2-enenitrile has a molecular weight of 124.19 g/mol, XLogP of 1.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)prop-2-enenitrile is sourced from PubChem (CID 21469938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).