2-(diethylamino)pent-3-enenitrile

C9H16N2 — CID 57353714

IUPAC2-(diethylamino)pent-3-enenitrile
SMILESCC=CC(C#N)N(CC)CC
InChIInChI=1S/C9H16N2/c1-4-7-9(8-10)11(5-2)6-3/h4,7,9H,5-6H2,1-3H3
InChIKeyBCDRVFPEAGEJTQ-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.80
Rot. Bonds4

About 2-(diethylamino)pent-3-enenitrile

2-(diethylamino)pent-3-enenitrile (PubChem CID 57353714) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 2-(diethylamino)pent-3-enenitrile.

Molecular Properties

Compound Name2-(diethylamino)pent-3-enenitrile
PubChem CID57353714
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name2-(diethylamino)pent-3-enenitrile
SMILESCC=CC(C#N)N(CC)CC
InChIInChI=1S/C9H16N2/c1-4-7-9(8-10)11(5-2)6-3/h4,7,9H,5-6H2,1-3H3
InChIKeyBCDRVFPEAGEJTQ-UHFFFAOYSA-N
XLogP1.80
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(diethylamino)pent-3-enenitrile?
The IUPAC name of 2-(diethylamino)pent-3-enenitrile (CID 57353714) is 2-(diethylamino)pent-3-enenitrile.
What is the SMILES notation for 2-(diethylamino)pent-3-enenitrile?
The canonical SMILES for 2-(diethylamino)pent-3-enenitrile is CC=CC(C#N)N(CC)CC.
What is the InChIKey of 2-(diethylamino)pent-3-enenitrile?
The InChIKey is BCDRVFPEAGEJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-4-7-9(8-10)11(5-2)6-3/h4,7,9H,5-6H2,1-3H3.
What are the key properties of 2-(diethylamino)pent-3-enenitrile?
2-(diethylamino)pent-3-enenitrile has a molecular weight of 152.24 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)pent-3-enenitrile is sourced from PubChem (CID 57353714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).