(1E)-2-imino-N-(4-methylanilino)-2-morpholin-4-ylethanimidoyl cyanide

C14H17N5O — CID 6401287

IUPAC(1E)-2-imino-N-(4-methylanilino)-2-morpholin-4-ylethanimidoyl cyanide
SMILES[H]/N=C(C(/C#N)=N/Nc1ccc(C)cc1)\N1CCOCC1
InChIInChI=1S/C14H17N5O/c1-11-2-4-12(5-3-11)17-18-13(10-15)14(16)19-6-8-20-9-7-19/h2-5,16-17H,6-9H2,1H3/b16-14-,18-13+
InChIKeyXRQORULPOMYQFG-XORKRYJBSA-N
MW271.32 g/mol
LogP1.60
Rot. Bonds3

About (1E)-2-imino-N-(4-methylanilino)-2-morpholin-4-ylethanimidoyl cyanide

(1E)-2-imino-N-(4-methylanilino)-2-morpholin-4-ylethanimidoyl cyanide (PubChem CID 6401287) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is (1E)-2-imino-N-(4-methylanilino)-2-morpholin-4-ylethanimidoyl cyanide.

Molecular Properties

Compound Name(1E)-2-imino-N-(4-methylanilino)-2-morpholin-4-ylethanimidoyl cyanide
PubChem CID6401287
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name(1E)-2-imino-N-(4-methylanilino)-2-morpholin-4-ylethanimidoyl cyanide
SMILES[H]/N=C(C(/C#N)=N/Nc1ccc(C)cc1)\N1CCOCC1
InChIInChI=1S/C14H17N5O/c1-11-2-4-12(5-3-11)17-18-13(10-15)14(16)19-6-8-20-9-7-19/h2-5,16-17H,6-9H2,1H3/b16-14-,18-13+
InChIKeyXRQORULPOMYQFG-XORKRYJBSA-N
XLogP1.60
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

Analyze (1E)-2-imino-N-(4-methylanilino)-2-morpholin-4-ylethanimidoyl 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

(2E)-3-azepan-1-yl-3-imino-2-[(4-methylphenyl)hydrazono]propanenitrile
CID 6401033
(1E)-2-imino-N-(4-methylanilino)-2-piperidin-1-ylethanimidoyl cyanide
CID 6401658
2-Cyano-N,N-diethyl-2-(p-tolyl-hydrazono)-acetamidine
CID 6415618
1-[(4-Methylphenyl)hydrazono]-1-(4-morpholinyl)acetone
CID 5337438
1-[(3-Methylphenyl)hydrazono]-1-(4-morpholinyl)acetone
CID 56642821
1-[(2-Methylphenyl)hydrazono]-1-(4-morpholinyl)acetone
CID 56642853
(2E)-3-imino-3-morpholin-4-yl-2-(phenylhydrazono)propanenitrile
CID 6401038
2-[(2-Fluorophenyl)hydrazono]-3-imino-3-(4-morpholinyl)propanenitrile
CID 6419199
(2E)-3-imino-3-(morpholin-4-yl)-2-{2-[2-(trifluoromethyl)phenyl]hydrazinylidene}propanenitrile
CID 6401031
Cambridge id 5928581
CID 5727875
Propionitrile, 2-(3-fluorophenylhydrazono)-3-imino-3-(4-morpholyl)-
CID 6401045
3-(1-Azepanyl)-3-imino-2-[(4-methylphenyl)hydrazono]propanenitrile
CID 6419203

Frequently Asked Questions

What is the IUPAC name of (1E)-2-imino-N-(4-methylanilino)-2-morpholin-4-ylethanimidoyl cyanide?
The IUPAC name of (1E)-2-imino-N-(4-methylanilino)-2-morpholin-4-ylethanimidoyl cyanide (CID 6401287) is (1E)-2-imino-N-(4-methylanilino)-2-morpholin-4-ylethanimidoyl cyanide.
What is the SMILES notation for (1E)-2-imino-N-(4-methylanilino)-2-morpholin-4-ylethanimidoyl cyanide?
The canonical SMILES for (1E)-2-imino-N-(4-methylanilino)-2-morpholin-4-ylethanimidoyl cyanide is [H]/N=C(C(/C#N)=N/Nc1ccc(C)cc1)\N1CCOCC1.
What is the InChIKey of (1E)-2-imino-N-(4-methylanilino)-2-morpholin-4-ylethanimidoyl cyanide?
The InChIKey is XRQORULPOMYQFG-XORKRYJBSA-N. The full InChI is InChI=1S/C14H17N5O/c1-11-2-4-12(5-3-11)17-18-13(10-15)14(16)19-6-8-20-9-7-19/h2-5,16-17H,6-9H2,1H3/b16-14-,18-13+.
What are the key properties of (1E)-2-imino-N-(4-methylanilino)-2-morpholin-4-ylethanimidoyl cyanide?
(1E)-2-imino-N-(4-methylanilino)-2-morpholin-4-ylethanimidoyl cyanide has a molecular weight of 271.32 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-2-imino-N-(4-methylanilino)-2-morpholin-4-ylethanimidoyl cyanide is sourced from PubChem (CID 6401287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).