2-[bis(prop-2-enyl)amino]-2-[4-(diethylamino)phenyl]acetonitrile

C18H25N3 — CID 84757349

IUPAC2-[bis(prop-2-enyl)amino]-2-[4-(diethylamino)phenyl]acetonitrile
SMILESC=CCN(CC=C)C(C#N)c1ccc(N(CC)CC)cc1
InChIInChI=1S/C18H25N3/c1-5-13-21(14-6-2)18(15-19)16-9-11-17(12-10-16)20(7-3)8-4/h5-6,9-12,18H,1-2,7-8,13-14H2,3-4H3
InChIKeyJDXWRTCLPLNPCD-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.77
Rot. Bonds9

About 2-[bis(prop-2-enyl)amino]-2-[4-(diethylamino)phenyl]acetonitrile

2-[bis(prop-2-enyl)amino]-2-[4-(diethylamino)phenyl]acetonitrile (PubChem CID 84757349) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-[bis(prop-2-enyl)amino]-2-[4-(diethylamino)phenyl]acetonitrile.

Molecular Properties

Compound Name2-[bis(prop-2-enyl)amino]-2-[4-(diethylamino)phenyl]acetonitrile
PubChem CID84757349
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name2-[bis(prop-2-enyl)amino]-2-[4-(diethylamino)phenyl]acetonitrile
SMILESC=CCN(CC=C)C(C#N)c1ccc(N(CC)CC)cc1
InChIInChI=1S/C18H25N3/c1-5-13-21(14-6-2)18(15-19)16-9-11-17(12-10-16)20(7-3)8-4/h5-6,9-12,18H,1-2,7-8,13-14H2,3-4H3
InChIKeyJDXWRTCLPLNPCD-UHFFFAOYSA-N
XLogP3.77
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[bis(prop-2-enyl)amino]-2-[4-(diethylamino)phenyl]acetonitrile 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 2-[bis(prop-2-enyl)amino]-2-[4-(diethylamino)phenyl]acetonitrile?
The IUPAC name of 2-[bis(prop-2-enyl)amino]-2-[4-(diethylamino)phenyl]acetonitrile (CID 84757349) is 2-[bis(prop-2-enyl)amino]-2-[4-(diethylamino)phenyl]acetonitrile.
What is the SMILES notation for 2-[bis(prop-2-enyl)amino]-2-[4-(diethylamino)phenyl]acetonitrile?
The canonical SMILES for 2-[bis(prop-2-enyl)amino]-2-[4-(diethylamino)phenyl]acetonitrile is C=CCN(CC=C)C(C#N)c1ccc(N(CC)CC)cc1.
What is the InChIKey of 2-[bis(prop-2-enyl)amino]-2-[4-(diethylamino)phenyl]acetonitrile?
The InChIKey is JDXWRTCLPLNPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-5-13-21(14-6-2)18(15-19)16-9-11-17(12-10-16)20(7-3)8-4/h5-6,9-12,18H,1-2,7-8,13-14H2,3-4H3.
What are the key properties of 2-[bis(prop-2-enyl)amino]-2-[4-(diethylamino)phenyl]acetonitrile?
2-[bis(prop-2-enyl)amino]-2-[4-(diethylamino)phenyl]acetonitrile has a molecular weight of 283.42 g/mol, XLogP of 3.77, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(prop-2-enyl)amino]-2-[4-(diethylamino)phenyl]acetonitrile is sourced from PubChem (CID 84757349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).