1-(4-amino-3-ethanimidoylanilino)-2,3-dihydro-1H-indene-5-carbonitrile

C18H18N4 — CID 166728056

IUPAC1-(4-amino-3-ethanimidoylanilino)-2,3-dihydro-1H-indene-5-carbonitrile
SMILES[H]/N=C(\C)c1cc(NC2CCc3cc(C#N)ccc32)ccc1N
InChIInChI=1S/C18H18N4/c1-11(20)16-9-14(4-6-17(16)21)22-18-7-3-13-8-12(10-19)2-5-15(13)18/h2,4-6,8-9,18,20,22H,3,7,21H2,1H3/b20-11+
InChIKeyOBRXKFPMLVSHHO-RGVLZGJSSA-N
MW290.37 g/mol
LogP3.63
Rot. Bonds3

About 1-(4-amino-3-ethanimidoylanilino)-2,3-dihydro-1H-indene-5-carbonitrile

1-(4-amino-3-ethanimidoylanilino)-2,3-dihydro-1H-indene-5-carbonitrile (PubChem CID 166728056) has the molecular formula C18H18N4 and a molecular weight of 290.37 g/mol. Its IUPAC name is 1-(4-amino-3-ethanimidoylanilino)-2,3-dihydro-1H-indene-5-carbonitrile.

Molecular Properties

Compound Name1-(4-amino-3-ethanimidoylanilino)-2,3-dihydro-1H-indene-5-carbonitrile
PubChem CID166728056
Molecular FormulaC18H18N4
Molecular Weight290.37 g/mol
Exact Mass290.15
IUPAC Name1-(4-amino-3-ethanimidoylanilino)-2,3-dihydro-1H-indene-5-carbonitrile
SMILES[H]/N=C(\C)c1cc(NC2CCc3cc(C#N)ccc32)ccc1N
InChIInChI=1S/C18H18N4/c1-11(20)16-9-14(4-6-17(16)21)22-18-7-3-13-8-12(10-19)2-5-15(13)18/h2,4-6,8-9,18,20,22H,3,7,21H2,1H3/b20-11+
InChIKeyOBRXKFPMLVSHHO-RGVLZGJSSA-N
XLogP3.63
TPSA85.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1-(4-amino-3-ethanimidoylanilino)-2,3-dihydro-1H-indene-5-carbonitrile 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-(4-amino-3-ethanimidoylanilino)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 156850754
5-[4-amino-3-(cyclohexene-1-carboximidoyl)anilino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 156850980
2,3-dihydro-1H-indene-5-carbonitrile;2-ethanimidoylbenzene-1,4-diamine
CID 156850812
(5R,6R)-5-[4-amino-3-(1,3-oxazole-5-carboximidoyl)anilino]-6-methyl-5,6,7,8-tetrahydronaphthalene-2-carbonitrile;molecular hydrogen;hydroiodide
CID 156851073
4-acetyl-3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]benzonitrile
CID 133456756
6-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]pyridine-3-carbonitrile
CID 79742118
8-(4-amino-3-ethanimidoylphenoxy)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 156851165
(8R)-8-[4-amino-3-(1,3-thiazole-5-carboximidoyl)anilino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 156851112
3,4-di(ethanimidoyl)benzonitrile
CID 147563554
1-[4-amino-3-[1-(difluoromethyl)pyrazole-4-carboximidoyl]anilino]-4-fluoro-2,3-dihydro-1H-indene-5-carbonitrile
CID 156850917
1-[4-amino-N-methyl-3-(1,3-oxazole-5-carboximidoyl)anilino]-2,3-dihydro-1H-indene-5-carbonitrile
CID 156851052
5-(methylamino)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 131174975

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-ethanimidoylanilino)-2,3-dihydro-1H-indene-5-carbonitrile?
The IUPAC name of 1-(4-amino-3-ethanimidoylanilino)-2,3-dihydro-1H-indene-5-carbonitrile (CID 166728056) is 1-(4-amino-3-ethanimidoylanilino)-2,3-dihydro-1H-indene-5-carbonitrile.
What is the SMILES notation for 1-(4-amino-3-ethanimidoylanilino)-2,3-dihydro-1H-indene-5-carbonitrile?
The canonical SMILES for 1-(4-amino-3-ethanimidoylanilino)-2,3-dihydro-1H-indene-5-carbonitrile is [H]/N=C(\C)c1cc(NC2CCc3cc(C#N)ccc32)ccc1N.
What is the InChIKey of 1-(4-amino-3-ethanimidoylanilino)-2,3-dihydro-1H-indene-5-carbonitrile?
The InChIKey is OBRXKFPMLVSHHO-RGVLZGJSSA-N. The full InChI is InChI=1S/C18H18N4/c1-11(20)16-9-14(4-6-17(16)21)22-18-7-3-13-8-12(10-19)2-5-15(13)18/h2,4-6,8-9,18,20,22H,3,7,21H2,1H3/b20-11+.
What are the key properties of 1-(4-amino-3-ethanimidoylanilino)-2,3-dihydro-1H-indene-5-carbonitrile?
1-(4-amino-3-ethanimidoylanilino)-2,3-dihydro-1H-indene-5-carbonitrile has a molecular weight of 290.37 g/mol, XLogP of 3.63, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-ethanimidoylanilino)-2,3-dihydro-1H-indene-5-carbonitrile is sourced from PubChem (CID 166728056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).