(Z)-3-(dipropylamino)but-2-enenitrile

C10H18N2 — CID 87071870

IUPAC(Z)-3-(dipropylamino)but-2-enenitrile
SMILESCCCN(CCC)/C(C)=C\C#N
InChIInChI=1S/C10H18N2/c1-4-8-12(9-5-2)10(3)6-7-11/h6H,4-5,8-9H2,1-3H3/b10-6-
InChIKeyITJHHIQXWHUCRH-POHAHGRESA-N
MW166.27 g/mol
LogP2.54
Rot. Bonds5

About (Z)-3-(dipropylamino)but-2-enenitrile

(Z)-3-(dipropylamino)but-2-enenitrile (PubChem CID 87071870) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is (Z)-3-(dipropylamino)but-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-(dipropylamino)but-2-enenitrile
PubChem CID87071870
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name(Z)-3-(dipropylamino)but-2-enenitrile
SMILESCCCN(CCC)/C(C)=C\C#N
InChIInChI=1S/C10H18N2/c1-4-8-12(9-5-2)10(3)6-7-11/h6H,4-5,8-9H2,1-3H3/b10-6-
InChIKeyITJHHIQXWHUCRH-POHAHGRESA-N
XLogP2.54
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-3-(dipropylamino)but-2-enenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(dipropylamino)but-2-enenitrile?
The IUPAC name of (Z)-3-(dipropylamino)but-2-enenitrile (CID 87071870) is (Z)-3-(dipropylamino)but-2-enenitrile.
What is the SMILES notation for (Z)-3-(dipropylamino)but-2-enenitrile?
The canonical SMILES for (Z)-3-(dipropylamino)but-2-enenitrile is CCCN(CCC)/C(C)=C\C#N.
What is the InChIKey of (Z)-3-(dipropylamino)but-2-enenitrile?
The InChIKey is ITJHHIQXWHUCRH-POHAHGRESA-N. The full InChI is InChI=1S/C10H18N2/c1-4-8-12(9-5-2)10(3)6-7-11/h6H,4-5,8-9H2,1-3H3/b10-6-.
What are the key properties of (Z)-3-(dipropylamino)but-2-enenitrile?
(Z)-3-(dipropylamino)but-2-enenitrile has a molecular weight of 166.27 g/mol, XLogP of 2.54, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(dipropylamino)but-2-enenitrile is sourced from PubChem (CID 87071870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).