(1Z)-2-amino-N-(2,5-diethoxy-4-morpholin-4-ylanilino)-2-iminoethanimidoyl cyanide

C17H24N6O3 — CID 172980151

IUPAC(1Z)-2-amino-N-(2,5-diethoxy-4-morpholin-4-ylanilino)-2-iminoethanimidoyl cyanide
SMILES[H]/N=C(N)/C(C#N)=N/Nc1cc(OCC)c(N2CCOCC2)cc1OCC
InChIInChI=1S/C17H24N6O3/c1-3-25-15-10-14(23-5-7-24-8-6-23)16(26-4-2)9-12(15)21-22-13(11-18)17(19)20/h9-10,21H,3-8H2,1-2H3,(H3,19,20)/b22-13+
InChIKeyLMXUAKDIALDUPC-LPYMAVHISA-N
MW360.42 g/mol
LogP1.55
Rot. Bonds8

About (1Z)-2-amino-N-(2,5-diethoxy-4-morpholin-4-ylanilino)-2-iminoethanimidoyl cyanide

(1Z)-2-amino-N-(2,5-diethoxy-4-morpholin-4-ylanilino)-2-iminoethanimidoyl cyanide (PubChem CID 172980151) has the molecular formula C17H24N6O3 and a molecular weight of 360.42 g/mol. Its IUPAC name is (1Z)-2-amino-N-(2,5-diethoxy-4-morpholin-4-ylanilino)-2-iminoethanimidoyl cyanide.

Molecular Properties

Compound Name(1Z)-2-amino-N-(2,5-diethoxy-4-morpholin-4-ylanilino)-2-iminoethanimidoyl cyanide
PubChem CID172980151
Molecular FormulaC17H24N6O3
Molecular Weight360.42 g/mol
Exact Mass360.19
IUPAC Name(1Z)-2-amino-N-(2,5-diethoxy-4-morpholin-4-ylanilino)-2-iminoethanimidoyl cyanide
SMILES[H]/N=C(N)/C(C#N)=N/Nc1cc(OCC)c(N2CCOCC2)cc1OCC
InChIInChI=1S/C17H24N6O3/c1-3-25-15-10-14(23-5-7-24-8-6-23)16(26-4-2)9-12(15)21-22-13(11-18)17(19)20/h9-10,21H,3-8H2,1-2H3,(H3,19,20)/b22-13+
InChIKeyLMXUAKDIALDUPC-LPYMAVHISA-N
XLogP1.55
TPSA128.98 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'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'}

Analyze (1Z)-2-amino-N-(2,5-diethoxy-4-morpholin-4-ylanilino)-2-iminoethanimidoyl cyanide 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

(1Z)-2-amino-2-imino-N-(2-morpholin-4-ylanilino)ethanimidoyl cyanide
CID 172976073
(1Z)-2-amino-N-(2-chloro-5-morpholin-4-ylanilino)-2-iminoethanimidoyl cyanide
CID 172980104
2-[(2Z)-2-(2-amino-1-cyano-2-iminoethylidene)hydrazinyl]-4-morpholin-4-ylbenzoic acid
CID 172979782
(1Z)-2-amino-2-imino-N-[2-(2-morpholin-4-ylethoxy)anilino]ethanimidoyl cyanide
CID 172979089
(1Z)-N-(2-acetamido-5-ethoxyanilino)-2-amino-2-iminoethanimidoyl cyanide
CID 172976247
(1Z)-2-amino-2-imino-N-[3-(2-morpholin-4-yl-2-oxoethoxy)anilino]ethanimidoyl cyanide
CID 172976707
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-methylsulfanylacetamide
CID 9079407
1-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-propan-2-ylthiourea
CID 8627378
(E)-3-(2,5-diethoxy-4-morpholin-4-ylanilino)-2-(4-methyl-1,3-thiazol-2-yl)prop-2-enenitrile
CID 8811375
5-[[2-[(2Z)-2-(2-amino-1-cyano-2-iminoethylidene)hydrazinyl]-4-methylphenoxy]methyl]furan-2-carboxylic acid
CID 172978230
(1Z)-2-amino-2-imino-N-[2-(2-morpholin-4-ylethylcarbamoyl)anilino]ethanimidoyl cyanide
CID 172976716
4-[(2Z)-2-(2-amino-1-cyano-2-iminoethylidene)hydrazinyl]-5-ethylsulfanyl-2-methoxybenzoic acid
CID 172980275

Frequently Asked Questions

What is the IUPAC name of (1Z)-2-amino-N-(2,5-diethoxy-4-morpholin-4-ylanilino)-2-iminoethanimidoyl cyanide?
The IUPAC name of (1Z)-2-amino-N-(2,5-diethoxy-4-morpholin-4-ylanilino)-2-iminoethanimidoyl cyanide (CID 172980151) is (1Z)-2-amino-N-(2,5-diethoxy-4-morpholin-4-ylanilino)-2-iminoethanimidoyl cyanide.
What is the SMILES notation for (1Z)-2-amino-N-(2,5-diethoxy-4-morpholin-4-ylanilino)-2-iminoethanimidoyl cyanide?
The canonical SMILES for (1Z)-2-amino-N-(2,5-diethoxy-4-morpholin-4-ylanilino)-2-iminoethanimidoyl cyanide is [H]/N=C(N)/C(C#N)=N/Nc1cc(OCC)c(N2CCOCC2)cc1OCC.
What is the InChIKey of (1Z)-2-amino-N-(2,5-diethoxy-4-morpholin-4-ylanilino)-2-iminoethanimidoyl cyanide?
The InChIKey is LMXUAKDIALDUPC-LPYMAVHISA-N. The full InChI is InChI=1S/C17H24N6O3/c1-3-25-15-10-14(23-5-7-24-8-6-23)16(26-4-2)9-12(15)21-22-13(11-18)17(19)20/h9-10,21H,3-8H2,1-2H3,(H3,19,20)/b22-13+.
What are the key properties of (1Z)-2-amino-N-(2,5-diethoxy-4-morpholin-4-ylanilino)-2-iminoethanimidoyl cyanide?
(1Z)-2-amino-N-(2,5-diethoxy-4-morpholin-4-ylanilino)-2-iminoethanimidoyl cyanide has a molecular weight of 360.42 g/mol, XLogP of 1.55, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-2-amino-N-(2,5-diethoxy-4-morpholin-4-ylanilino)-2-iminoethanimidoyl cyanide is sourced from PubChem (CID 172980151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).