(1Z)-2-amino-N-[2-[[2-(dimethylamino)acetyl]amino]-5-methylanilino]-2-iminoethanimidoyl cyanide

C14H19N7O — CID 172977196

IUPAC(1Z)-2-amino-N-[2-[[2-(dimethylamino)acetyl]amino]-5-methylanilino]-2-iminoethanimidoyl cyanide
SMILES[H]/N=C(N)/C(C#N)=N/Nc1cc(C)ccc1NC(=O)CN(C)C
InChIInChI=1S/C14H19N7O/c1-9-4-5-10(18-13(22)8-21(2)3)11(6-9)19-20-12(7-15)14(16)17/h4-6,19H,8H2,1-3H3,(H3,16,17)(H,18,22)/b20-12+
InChIKeyUULYEFJYIWXKDQ-UDWIEESQSA-N
MW301.35 g/mol
LogP0.72
Rot. Bonds6

About (1Z)-2-amino-N-[2-[[2-(dimethylamino)acetyl]amino]-5-methylanilino]-2-iminoethanimidoyl cyanide

(1Z)-2-amino-N-[2-[[2-(dimethylamino)acetyl]amino]-5-methylanilino]-2-iminoethanimidoyl cyanide (PubChem CID 172977196) has the molecular formula C14H19N7O and a molecular weight of 301.35 g/mol. Its IUPAC name is (1Z)-2-amino-N-[2-[[2-(dimethylamino)acetyl]amino]-5-methylanilino]-2-iminoethanimidoyl cyanide.

Molecular Properties

Compound Name(1Z)-2-amino-N-[2-[[2-(dimethylamino)acetyl]amino]-5-methylanilino]-2-iminoethanimidoyl cyanide
PubChem CID172977196
Molecular FormulaC14H19N7O
Molecular Weight301.35 g/mol
Exact Mass301.17
IUPAC Name(1Z)-2-amino-N-[2-[[2-(dimethylamino)acetyl]amino]-5-methylanilino]-2-iminoethanimidoyl cyanide
SMILES[H]/N=C(N)/C(C#N)=N/Nc1cc(C)ccc1NC(=O)CN(C)C
InChIInChI=1S/C14H19N7O/c1-9-4-5-10(18-13(22)8-21(2)3)11(6-9)19-20-12(7-15)14(16)17/h4-6,19H,8H2,1-3H3,(H3,16,17)(H,18,22)/b20-12+
InChIKeyUULYEFJYIWXKDQ-UDWIEESQSA-N
XLogP0.72
TPSA130.39 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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-[[2-(dimethylamino)acetyl]amino]-5-methylanilino]-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)-N-(2-acetamido-5-chloroanilino)-2-amino-2-iminoethanimidoyl cyanide
CID 172976589
(1Z)-N-(2-acetamido-5-ethoxyanilino)-2-amino-2-iminoethanimidoyl cyanide
CID 172976247
(1Z)-N-(2-acetamidoanilino)-2-amino-2-iminoethanimidoyl cyanide
CID 172931881
(1Z)-2-amino-N-[2-(difluoromethoxy)-4-methylanilino]-2-iminoethanimidoyl cyanide
CID 172977721
(1Z)-2-amino-N-[4-(butanoylamino)-3-chloroanilino]-2-iminoethanimidoyl cyanide
CID 172977506
methyl 4-[(2Z)-2-(2-amino-1-cyano-2-iminoethylidene)hydrazinyl]-3-methylbenzoate
CID 172931597
(1Z)-2-amino-N-[4-(dimethylamino)-2-methoxyanilino]-2-iminoethanimidoyl cyanide
CID 172977383
5-[[2-[(2Z)-2-(2-amino-1-cyano-2-iminoethylidene)hydrazinyl]-4-methylphenoxy]methyl]furan-2-carboxylic acid
CID 172978230
(1Z)-2-amino-N-(5-bromo-2-propanoylanilino)-2-iminoethanimidoyl cyanide
CID 172978501
methyl 3-[(2Z)-2-(2-amino-1-cyano-2-iminoethylidene)hydrazinyl]-4-(propan-2-ylamino)benzoate
CID 172976444
(1Z)-2-amino-N-(4-bromo-2-methyl-3-nitroanilino)-2-iminoethanimidoyl cyanide
CID 172977983
(1Z)-2-amino-N-(4-bromo-2-hydroxyanilino)-2-iminoethanimidoyl cyanide
CID 172931849

Frequently Asked Questions

What is the IUPAC name of (1Z)-2-amino-N-[2-[[2-(dimethylamino)acetyl]amino]-5-methylanilino]-2-iminoethanimidoyl cyanide?
The IUPAC name of (1Z)-2-amino-N-[2-[[2-(dimethylamino)acetyl]amino]-5-methylanilino]-2-iminoethanimidoyl cyanide (CID 172977196) is (1Z)-2-amino-N-[2-[[2-(dimethylamino)acetyl]amino]-5-methylanilino]-2-iminoethanimidoyl cyanide.
What is the SMILES notation for (1Z)-2-amino-N-[2-[[2-(dimethylamino)acetyl]amino]-5-methylanilino]-2-iminoethanimidoyl cyanide?
The canonical SMILES for (1Z)-2-amino-N-[2-[[2-(dimethylamino)acetyl]amino]-5-methylanilino]-2-iminoethanimidoyl cyanide is [H]/N=C(N)/C(C#N)=N/Nc1cc(C)ccc1NC(=O)CN(C)C.
What is the InChIKey of (1Z)-2-amino-N-[2-[[2-(dimethylamino)acetyl]amino]-5-methylanilino]-2-iminoethanimidoyl cyanide?
The InChIKey is UULYEFJYIWXKDQ-UDWIEESQSA-N. The full InChI is InChI=1S/C14H19N7O/c1-9-4-5-10(18-13(22)8-21(2)3)11(6-9)19-20-12(7-15)14(16)17/h4-6,19H,8H2,1-3H3,(H3,16,17)(H,18,22)/b20-12+.
What are the key properties of (1Z)-2-amino-N-[2-[[2-(dimethylamino)acetyl]amino]-5-methylanilino]-2-iminoethanimidoyl cyanide?
(1Z)-2-amino-N-[2-[[2-(dimethylamino)acetyl]amino]-5-methylanilino]-2-iminoethanimidoyl cyanide has a molecular weight of 301.35 g/mol, XLogP of 0.72, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-2-amino-N-[2-[[2-(dimethylamino)acetyl]amino]-5-methylanilino]-2-iminoethanimidoyl cyanide is sourced from PubChem (CID 172977196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).