(1Z)-2-amino-N-(2-bromo-3-methylanilino)-2-iminoethanimidoyl cyanide

C10H10BrN5 — CID 172931872

IUPAC(1Z)-2-amino-N-(2-bromo-3-methylanilino)-2-iminoethanimidoyl cyanide
SMILES[H]/N=C(N)/C(C#N)=N/Nc1cccc(C)c1Br
InChIInChI=1S/C10H10BrN5/c1-6-3-2-4-7(9(6)11)15-16-8(5-12)10(13)14/h2-4,15H,1H3,(H3,13,14)/b16-8+
InChIKeyDFBMPZMIULVVCX-LZYBPNLTSA-N
MW280.13 g/mol
LogP1.98
Rot. Bonds3

About (1Z)-2-amino-N-(2-bromo-3-methylanilino)-2-iminoethanimidoyl cyanide

(1Z)-2-amino-N-(2-bromo-3-methylanilino)-2-iminoethanimidoyl cyanide (PubChem CID 172931872) has the molecular formula C10H10BrN5 and a molecular weight of 280.13 g/mol. Its IUPAC name is (1Z)-2-amino-N-(2-bromo-3-methylanilino)-2-iminoethanimidoyl cyanide.

Molecular Properties

Compound Name(1Z)-2-amino-N-(2-bromo-3-methylanilino)-2-iminoethanimidoyl cyanide
PubChem CID172931872
Molecular FormulaC10H10BrN5
Molecular Weight280.13 g/mol
Exact Mass279.01
IUPAC Name(1Z)-2-amino-N-(2-bromo-3-methylanilino)-2-iminoethanimidoyl cyanide
SMILES[H]/N=C(N)/C(C#N)=N/Nc1cccc(C)c1Br
InChIInChI=1S/C10H10BrN5/c1-6-3-2-4-7(9(6)11)15-16-8(5-12)10(13)14/h2-4,15H,1H3,(H3,13,14)/b16-8+
InChIKeyDFBMPZMIULVVCX-LZYBPNLTSA-N
XLogP1.98
TPSA98.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.13
LogP ≤ 51.98
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-(3-bromo-2-methylanilino)-2-iminoethanimidoyl cyanide
CID 172980433
(1Z)-2-amino-N-[2-[(2,6-dimethylphenyl)carbamoyl]anilino]-2-iminoethanimidoyl cyanide
CID 172976713
(1Z)-2-amino-N-[2-bromo-6-(2-hydroxyphenyl)-3-methylanilino]-2-iminoethanimidoyl cyanide
CID 172977746
(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-N-[(3-bromo-1-methylindazol-7-yl)amino]-2-iminoethanimidoyl cyanide
CID 172979558
(1E)-2-amino-N-(2,6-dichloroanilino)-2-iminoethanimidoyl cyanide
CID 162440498
(1Z)-N-(3-acetyl-2-hydroxyanilino)-2-amino-2-iminoethanimidoyl cyanide
CID 172980128
(1Z)-2-amino-N-(1-benzofuran-4-ylamino)-2-iminoethanimidoyl cyanide
CID 172979480
(1Z)-2-amino-2-imino-N-(2-methyl-6-nitroanilino)ethanimidoyl cyanide
CID 172931618
(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-bromo-3-methylanilino)-2-iminoethanimidoyl cyanide?
The IUPAC name of (1Z)-2-amino-N-(2-bromo-3-methylanilino)-2-iminoethanimidoyl cyanide (CID 172931872) is (1Z)-2-amino-N-(2-bromo-3-methylanilino)-2-iminoethanimidoyl cyanide.
What is the SMILES notation for (1Z)-2-amino-N-(2-bromo-3-methylanilino)-2-iminoethanimidoyl cyanide?
The canonical SMILES for (1Z)-2-amino-N-(2-bromo-3-methylanilino)-2-iminoethanimidoyl cyanide is [H]/N=C(N)/C(C#N)=N/Nc1cccc(C)c1Br.
What is the InChIKey of (1Z)-2-amino-N-(2-bromo-3-methylanilino)-2-iminoethanimidoyl cyanide?
The InChIKey is DFBMPZMIULVVCX-LZYBPNLTSA-N. The full InChI is InChI=1S/C10H10BrN5/c1-6-3-2-4-7(9(6)11)15-16-8(5-12)10(13)14/h2-4,15H,1H3,(H3,13,14)/b16-8+.
What are the key properties of (1Z)-2-amino-N-(2-bromo-3-methylanilino)-2-iminoethanimidoyl cyanide?
(1Z)-2-amino-N-(2-bromo-3-methylanilino)-2-iminoethanimidoyl cyanide has a molecular weight of 280.13 g/mol, XLogP of 1.98, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-2-amino-N-(2-bromo-3-methylanilino)-2-iminoethanimidoyl cyanide is sourced from PubChem (CID 172931872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).