(1Z)-2-amino-N-[2-(cyclohexylcarbamoyl)anilino]-2-iminoethanimidoyl cyanide

C16H20N6O — CID 172978883

IUPAC(1Z)-2-amino-N-[2-(cyclohexylcarbamoyl)anilino]-2-iminoethanimidoyl cyanide
SMILES[H]/N=C(N)/C(C#N)=N/Nc1ccccc1C(=O)NC1CCCCC1
InChIInChI=1S/C16H20N6O/c17-10-14(15(18)19)22-21-13-9-5-4-8-12(13)16(23)20-11-6-2-1-3-7-11/h4-5,8-9,11,21H,1-3,6-7H2,(H3,18,19)(H,20,23)/b22-14+
InChIKeyCVERUQIDODLPGZ-HYARGMPZSA-N
MW312.38 g/mol
LogP1.98
Rot. Bonds5

About (1Z)-2-amino-N-[2-(cyclohexylcarbamoyl)anilino]-2-iminoethanimidoyl cyanide

(1Z)-2-amino-N-[2-(cyclohexylcarbamoyl)anilino]-2-iminoethanimidoyl cyanide (PubChem CID 172978883) has the molecular formula C16H20N6O and a molecular weight of 312.38 g/mol. Its IUPAC name is (1Z)-2-amino-N-[2-(cyclohexylcarbamoyl)anilino]-2-iminoethanimidoyl cyanide.

Molecular Properties

Compound Name(1Z)-2-amino-N-[2-(cyclohexylcarbamoyl)anilino]-2-iminoethanimidoyl cyanide
PubChem CID172978883
Molecular FormulaC16H20N6O
Molecular Weight312.38 g/mol
Exact Mass312.17
IUPAC Name(1Z)-2-amino-N-[2-(cyclohexylcarbamoyl)anilino]-2-iminoethanimidoyl cyanide
SMILES[H]/N=C(N)/C(C#N)=N/Nc1ccccc1C(=O)NC1CCCCC1
InChIInChI=1S/C16H20N6O/c17-10-14(15(18)19)22-21-13-9-5-4-8-12(13)16(23)20-11-6-2-1-3-7-11/h4-5,8-9,11,21H,1-3,6-7H2,(H3,18,19)(H,20,23)/b22-14+
InChIKeyCVERUQIDODLPGZ-HYARGMPZSA-N
XLogP1.98
TPSA127.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 51.98
H-Bond Donors ≤ 54
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 (1Z)-2-amino-N-[2-(cyclohexylcarbamoyl)anilino]-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-N-[4-(cyclopentylcarbamoyl)anilino]-2-iminoethanimidoyl cyanide
CID 172978650
tert-butyl 4-[2-[(2Z)-2-(2-amino-1-cyano-2-iminoethylidene)hydrazinyl]benzoyl]piperazine-1-carboxylate
CID 172978043
3-[(2Z)-2-(2-amino-1-cyano-2-iminoethylidene)hydrazinyl]-2-(2-phenylanilino)benzoic acid
CID 172980124
(1Z)-2-amino-N-[(7-benzoyl-2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-iminoethanimidoyl cyanide
CID 172977475
N-cycloheptyl-2-(propan-2-ylamino)benzamide
CID 63107657
2-[4-[(2Z)-2-(2-amino-1-cyano-2-iminoethylidene)hydrazinyl]phenyl]benzoic acid
CID 172978666
(1Z)-2-amino-N-(3-bromo-2-methylanilino)-2-iminoethanimidoyl cyanide
CID 172980433
(1Z)-2-amino-2-imino-N-(2-propylsulfanylanilino)ethanimidoyl cyanide
CID 172977189
(1Z)-2-amino-N-[3-(cyclopropanecarbonylamino)anilino]-2-iminoethanimidoyl cyanide
CID 172976419
2-[[2-cyano-2-(2H-tetrazol-5-yl)ethenyl]amino]-N-cyclooctylbenzamide
CID 169343082
N-cyclooctyl-2-(propylamino)benzamide
CID 63500402
tert-butyl N-[1-[2-[(2Z)-2-(2-amino-1-cyano-2-iminoethylidene)hydrazinyl]-4-fluorophenyl]piperidin-4-yl]carbamate
CID 172978119

Frequently Asked Questions

What is the IUPAC name of (1Z)-2-amino-N-[2-(cyclohexylcarbamoyl)anilino]-2-iminoethanimidoyl cyanide?
The IUPAC name of (1Z)-2-amino-N-[2-(cyclohexylcarbamoyl)anilino]-2-iminoethanimidoyl cyanide (CID 172978883) is (1Z)-2-amino-N-[2-(cyclohexylcarbamoyl)anilino]-2-iminoethanimidoyl cyanide.
What is the SMILES notation for (1Z)-2-amino-N-[2-(cyclohexylcarbamoyl)anilino]-2-iminoethanimidoyl cyanide?
The canonical SMILES for (1Z)-2-amino-N-[2-(cyclohexylcarbamoyl)anilino]-2-iminoethanimidoyl cyanide is [H]/N=C(N)/C(C#N)=N/Nc1ccccc1C(=O)NC1CCCCC1.
What is the InChIKey of (1Z)-2-amino-N-[2-(cyclohexylcarbamoyl)anilino]-2-iminoethanimidoyl cyanide?
The InChIKey is CVERUQIDODLPGZ-HYARGMPZSA-N. The full InChI is InChI=1S/C16H20N6O/c17-10-14(15(18)19)22-21-13-9-5-4-8-12(13)16(23)20-11-6-2-1-3-7-11/h4-5,8-9,11,21H,1-3,6-7H2,(H3,18,19)(H,20,23)/b22-14+.
What are the key properties of (1Z)-2-amino-N-[2-(cyclohexylcarbamoyl)anilino]-2-iminoethanimidoyl cyanide?
(1Z)-2-amino-N-[2-(cyclohexylcarbamoyl)anilino]-2-iminoethanimidoyl cyanide has a molecular weight of 312.38 g/mol, XLogP of 1.98, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-2-amino-N-[2-(cyclohexylcarbamoyl)anilino]-2-iminoethanimidoyl cyanide is sourced from PubChem (CID 172978883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).