(1Z)-2-amino-N-(4-tert-butyl-2-phenylanilino)-2-iminoethanimidoyl cyanide

C19H21N5 — CID 172976210

IUPAC(1Z)-2-amino-N-(4-tert-butyl-2-phenylanilino)-2-iminoethanimidoyl cyanide
SMILES[H]/N=C(N)/C(C#N)=N/Nc1ccc(C(C)(C)C)cc1-c1ccccc1
InChIInChI=1S/C19H21N5/c1-19(2,3)14-9-10-16(23-24-17(12-20)18(21)22)15(11-14)13-7-5-4-6-8-13/h4-11,23H,1-3H3,(H3,21,22)/b24-17+
InChIKeyOWKIMCOGEPVFEJ-JJIBRWJFSA-N
MW319.41 g/mol
LogP3.88
Rot. Bonds4

About (1Z)-2-amino-N-(4-tert-butyl-2-phenylanilino)-2-iminoethanimidoyl cyanide

(1Z)-2-amino-N-(4-tert-butyl-2-phenylanilino)-2-iminoethanimidoyl cyanide (PubChem CID 172976210) has the molecular formula C19H21N5 and a molecular weight of 319.41 g/mol. Its IUPAC name is (1Z)-2-amino-N-(4-tert-butyl-2-phenylanilino)-2-iminoethanimidoyl cyanide.

Molecular Properties

Compound Name(1Z)-2-amino-N-(4-tert-butyl-2-phenylanilino)-2-iminoethanimidoyl cyanide
PubChem CID172976210
Molecular FormulaC19H21N5
Molecular Weight319.41 g/mol
Exact Mass319.18
IUPAC Name(1Z)-2-amino-N-(4-tert-butyl-2-phenylanilino)-2-iminoethanimidoyl cyanide
SMILES[H]/N=C(N)/C(C#N)=N/Nc1ccc(C(C)(C)C)cc1-c1ccccc1
InChIInChI=1S/C19H21N5/c1-19(2,3)14-9-10-16(23-24-17(12-20)18(21)22)15(11-14)13-7-5-4-6-8-13/h4-11,23H,1-3H3,(H3,21,22)/b24-17+
InChIKeyOWKIMCOGEPVFEJ-JJIBRWJFSA-N
XLogP3.88
TPSA98.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_imine_A(37)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(1Z)-2-amino-N-(4-tert-butyl-2-chloroanilino)-2-iminoethanimidoyl cyanide
CID 172976470
(1Z)-2-amino-2-imino-N-(2-methoxy-5-phenylanilino)ethanimidoyl cyanide
CID 172932129
(1Z)-2-amino-N-[2-(3,4-difluorophenyl)anilino]-2-iminoethanimidoyl cyanide
CID 172977146
(1Z)-2-amino-N-(2-fluoroanilino)-2-iminoethanimidoyl cyanide
CID 172976781
(1Z)-2-amino-2-imino-N-(2-iodoanilino)ethanimidoyl cyanide
CID 172980468
(1Z)-N-(2-acetamidoanilino)-2-amino-2-iminoethanimidoyl cyanide
CID 172931881
(1Z)-2-amino-2-imino-N-(2-propan-2-yloxyanilino)ethanimidoyl cyanide
CID 172976119
(1Z)-2-amino-N-[[3-(hydroxymethyl)naphthalen-2-yl]amino]-2-iminoethanimidoyl cyanide
CID 172978404
(1Z)-2-amino-2-imino-N-[4-(2-methylsulfanylphenyl)anilino]ethanimidoyl cyanide
CID 172977406
(1Z)-2-amino-2-imino-N-[(2-phenyl-1-benzofuran-7-yl)amino]ethanimidoyl cyanide
CID 172978752
3-[(2Z)-2-(2-amino-1-cyano-2-iminoethylidene)hydrazinyl]-2-(2-phenylanilino)benzoic acid
CID 172980124
(1Z)-2-amino-N-(4-bromo-2-propan-2-yloxyanilino)-2-iminoethanimidoyl cyanide
CID 172977487

Frequently Asked Questions

What is the IUPAC name of (1Z)-2-amino-N-(4-tert-butyl-2-phenylanilino)-2-iminoethanimidoyl cyanide?
The IUPAC name of (1Z)-2-amino-N-(4-tert-butyl-2-phenylanilino)-2-iminoethanimidoyl cyanide (CID 172976210) is (1Z)-2-amino-N-(4-tert-butyl-2-phenylanilino)-2-iminoethanimidoyl cyanide.
What is the SMILES notation for (1Z)-2-amino-N-(4-tert-butyl-2-phenylanilino)-2-iminoethanimidoyl cyanide?
The canonical SMILES for (1Z)-2-amino-N-(4-tert-butyl-2-phenylanilino)-2-iminoethanimidoyl cyanide is [H]/N=C(N)/C(C#N)=N/Nc1ccc(C(C)(C)C)cc1-c1ccccc1.
What is the InChIKey of (1Z)-2-amino-N-(4-tert-butyl-2-phenylanilino)-2-iminoethanimidoyl cyanide?
The InChIKey is OWKIMCOGEPVFEJ-JJIBRWJFSA-N. The full InChI is InChI=1S/C19H21N5/c1-19(2,3)14-9-10-16(23-24-17(12-20)18(21)22)15(11-14)13-7-5-4-6-8-13/h4-11,23H,1-3H3,(H3,21,22)/b24-17+.
What are the key properties of (1Z)-2-amino-N-(4-tert-butyl-2-phenylanilino)-2-iminoethanimidoyl cyanide?
(1Z)-2-amino-N-(4-tert-butyl-2-phenylanilino)-2-iminoethanimidoyl cyanide has a molecular weight of 319.41 g/mol, XLogP of 3.88, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-2-amino-N-(4-tert-butyl-2-phenylanilino)-2-iminoethanimidoyl cyanide is sourced from PubChem (CID 172976210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).