2-[3-(2,2-dimethoxyethylimino)-1-[6-(dimethylamino)naphthalen-2-yl]propylidene]propanedinitrile

C22H24N4O2 — CID 90799678

IUPAC2-[3-(2,2-dimethoxyethylimino)-1-[6-(dimethylamino)naphthalen-2-yl]propylidene]propanedinitrile
SMILESCOC(C/N=C/CC(=C(C#N)C#N)c1ccc2cc(N(C)C)ccc2c1)OC
InChIInChI=1S/C22H24N4O2/c1-26(2)20-8-7-16-11-18(6-5-17(16)12-20)21(19(13-23)14-24)9-10-25-15-22(27-3)28-4/h5-8,10-12,22H,9,15H2,1-4H3/b25-10+
InChIKeyOWLINOONOMJLHH-KIBLKLHPSA-N
MW376.46 g/mol
LogP3.79
Rot. Bonds8

About 2-[3-(2,2-dimethoxyethylimino)-1-[6-(dimethylamino)naphthalen-2-yl]propylidene]propanedinitrile

2-[3-(2,2-dimethoxyethylimino)-1-[6-(dimethylamino)naphthalen-2-yl]propylidene]propanedinitrile (PubChem CID 90799678) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-[3-(2,2-dimethoxyethylimino)-1-[6-(dimethylamino)naphthalen-2-yl]propylidene]propanedinitrile.

Molecular Properties

Compound Name2-[3-(2,2-dimethoxyethylimino)-1-[6-(dimethylamino)naphthalen-2-yl]propylidene]propanedinitrile
PubChem CID90799678
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name2-[3-(2,2-dimethoxyethylimino)-1-[6-(dimethylamino)naphthalen-2-yl]propylidene]propanedinitrile
SMILESCOC(C/N=C/CC(=C(C#N)C#N)c1ccc2cc(N(C)C)ccc2c1)OC
InChIInChI=1S/C22H24N4O2/c1-26(2)20-8-7-16-11-18(6-5-17(16)12-20)21(19(13-23)14-24)9-10-25-15-22(27-3)28-4/h5-8,10-12,22H,9,15H2,1-4H3/b25-10+
InChIKeyOWLINOONOMJLHH-KIBLKLHPSA-N
XLogP3.79
TPSA81.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_cyano_A(19)', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-[3-(2,2-dimethoxyethylimino)-1-[6-(dimethylamino)naphthalen-2-yl]propylidene]propanedinitrile with MolForge

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

Launch Full Analysis

Related Compounds

5-(2,2-dimethoxyethylimino)-3-[6-(dimethylamino)naphthalen-2-yl]-2-isocyanopent-2-enenitrile
CID 91001842
N-[4-(dimethylamino)phenyl]naphthalene-2-carboximidoyl cyanide
CID 101125185
(E)-1-cyano-2-[6-(dimethylamino)naphthalen-2-yl]prop-1-ene-1-thiolate;hafnium;methoxymethyl(methyl)azanide
CID 153371504
2-[1-[6-[3-fluoropropyl(methyl)amino]naphthalen-2-yl]ethylidene]propanedinitrile
CID 89174747
14-[6-(dimethylamino)naphthalen-2-yl]-14-oxotetradecanenitrile
CID 11372781
3-[4-(dimethylamino)phenyl]-2-naphthalen-2-ylprop-2-enenitrile
CID 3991442
1-[6-(dimethylamino)naphthalen-2-yl]ethanone
CID 15333970
1-[6-(dimethylamino)naphthalen-2-yl]-2-hydroxyethanone
CID 177451598
1-[6-(dimethylamino)naphthalen-2-yl]propan-1-one;propane
CID 66749463
6-methoxy-N,N-dimethylnaphthalen-2-amine
CID 117043645
(E)-3-[4-(dimethylamino)phenyl]-2-(4-methoxybenzoyl)prop-2-enenitrile
CID 8685083
N-[4-(dimethylamino)phenyl]-2-(4-methoxyphenyl)-2-oxoethanimidoyl cyanide
CID 175672875

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,2-dimethoxyethylimino)-1-[6-(dimethylamino)naphthalen-2-yl]propylidene]propanedinitrile?
The IUPAC name of 2-[3-(2,2-dimethoxyethylimino)-1-[6-(dimethylamino)naphthalen-2-yl]propylidene]propanedinitrile (CID 90799678) is 2-[3-(2,2-dimethoxyethylimino)-1-[6-(dimethylamino)naphthalen-2-yl]propylidene]propanedinitrile.
What is the SMILES notation for 2-[3-(2,2-dimethoxyethylimino)-1-[6-(dimethylamino)naphthalen-2-yl]propylidene]propanedinitrile?
The canonical SMILES for 2-[3-(2,2-dimethoxyethylimino)-1-[6-(dimethylamino)naphthalen-2-yl]propylidene]propanedinitrile is COC(C/N=C/CC(=C(C#N)C#N)c1ccc2cc(N(C)C)ccc2c1)OC.
What is the InChIKey of 2-[3-(2,2-dimethoxyethylimino)-1-[6-(dimethylamino)naphthalen-2-yl]propylidene]propanedinitrile?
The InChIKey is OWLINOONOMJLHH-KIBLKLHPSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-26(2)20-8-7-16-11-18(6-5-17(16)12-20)21(19(13-23)14-24)9-10-25-15-22(27-3)28-4/h5-8,10-12,22H,9,15H2,1-4H3/b25-10+.
What are the key properties of 2-[3-(2,2-dimethoxyethylimino)-1-[6-(dimethylamino)naphthalen-2-yl]propylidene]propanedinitrile?
2-[3-(2,2-dimethoxyethylimino)-1-[6-(dimethylamino)naphthalen-2-yl]propylidene]propanedinitrile has a molecular weight of 376.46 g/mol, XLogP of 3.79, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,2-dimethoxyethylimino)-1-[6-(dimethylamino)naphthalen-2-yl]propylidene]propanedinitrile is sourced from PubChem (CID 90799678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).