(1Z)-2-amino-2-imino-N-(3-propan-2-ylanilino)ethanimidoyl cyanide

C12H15N5 — CID 172980200

IUPAC(1Z)-2-amino-2-imino-N-(3-propan-2-ylanilino)ethanimidoyl cyanide
SMILES[H]/N=C(N)/C(C#N)=N/Nc1cccc(C(C)C)c1
InChIInChI=1S/C12H15N5/c1-8(2)9-4-3-5-10(6-9)16-17-11(7-13)12(14)15/h3-6,8,16H,1-2H3,(H3,14,15)/b17-11+
InChIKeyOYQGHRQSMZGVOI-GZTJUZNOSA-N
MW229.29 g/mol
LogP2.04
Rot. Bonds4

About (1Z)-2-amino-2-imino-N-(3-propan-2-ylanilino)ethanimidoyl cyanide

(1Z)-2-amino-2-imino-N-(3-propan-2-ylanilino)ethanimidoyl cyanide (PubChem CID 172980200) has the molecular formula C12H15N5 and a molecular weight of 229.29 g/mol. Its IUPAC name is (1Z)-2-amino-2-imino-N-(3-propan-2-ylanilino)ethanimidoyl cyanide.

Molecular Properties

Compound Name(1Z)-2-amino-2-imino-N-(3-propan-2-ylanilino)ethanimidoyl cyanide
PubChem CID172980200
Molecular FormulaC12H15N5
Molecular Weight229.29 g/mol
Exact Mass229.13
IUPAC Name(1Z)-2-amino-2-imino-N-(3-propan-2-ylanilino)ethanimidoyl cyanide
SMILES[H]/N=C(N)/C(C#N)=N/Nc1cccc(C(C)C)c1
InChIInChI=1S/C12H15N5/c1-8(2)9-4-3-5-10(6-9)16-17-11(7-13)12(14)15/h3-6,8,16H,1-2H3,(H3,14,15)/b17-11+
InChIKeyOYQGHRQSMZGVOI-GZTJUZNOSA-N
XLogP2.04
TPSA98.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 52.04
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-2-imino-N-(3-propan-2-ylsulfonylanilino)ethanimidoyl cyanide
CID 172979078
propan-2-yl 3-[(2Z)-2-(2-amino-1-cyano-2-iminoethylidene)hydrazinyl]benzoate
CID 172931870
(1Z)-2-amino-2-imino-N-[3-(2-methylpropylcarbamoyl)anilino]ethanimidoyl cyanide
CID 172976686
(1Z)-2-amino-N-[3-(3-fluorophenyl)anilino]-2-iminoethanimidoyl cyanide
CID 172979314
(1Z)-2-amino-N-(2,6-dibromo-4-propan-2-ylanilino)-2-iminoethanimidoyl cyanide
CID 172931884
(1Z)-2-amino-N-[3-(4-cyanophenyl)anilino]-2-iminoethanimidoyl cyanide
CID 172978039
(1Z)-2-amino-N-[3-(diethylaminomethyl)anilino]-2-iminoethanimidoyl cyanide
CID 172978525
methyl 2-[3-[(2Z)-2-(2-amino-1-cyano-2-iminoethylidene)hydrazinyl]phenyl]acetate
CID 172976197
(1Z)-2-amino-N-[3-(ethylcarbamoyl)anilino]-2-iminoethanimidoyl cyanide
CID 172976316
propan-2-yl 4-[3-[(2Z)-2-(2-amino-1-cyano-2-iminoethylidene)hydrazinyl]phenyl]benzoate
CID 172977339
(1Z)-2-amino-N-(3-chloro-4-methylanilino)-2-iminoethanimidoyl cyanide
CID 172931907
(1Z)-2-amino-2-imino-N-[3-(1-methylpyrazol-3-yl)anilino]ethanimidoyl cyanide
CID 172979894

Frequently Asked Questions

What is the IUPAC name of (1Z)-2-amino-2-imino-N-(3-propan-2-ylanilino)ethanimidoyl cyanide?
The IUPAC name of (1Z)-2-amino-2-imino-N-(3-propan-2-ylanilino)ethanimidoyl cyanide (CID 172980200) is (1Z)-2-amino-2-imino-N-(3-propan-2-ylanilino)ethanimidoyl cyanide.
What is the SMILES notation for (1Z)-2-amino-2-imino-N-(3-propan-2-ylanilino)ethanimidoyl cyanide?
The canonical SMILES for (1Z)-2-amino-2-imino-N-(3-propan-2-ylanilino)ethanimidoyl cyanide is [H]/N=C(N)/C(C#N)=N/Nc1cccc(C(C)C)c1.
What is the InChIKey of (1Z)-2-amino-2-imino-N-(3-propan-2-ylanilino)ethanimidoyl cyanide?
The InChIKey is OYQGHRQSMZGVOI-GZTJUZNOSA-N. The full InChI is InChI=1S/C12H15N5/c1-8(2)9-4-3-5-10(6-9)16-17-11(7-13)12(14)15/h3-6,8,16H,1-2H3,(H3,14,15)/b17-11+.
What are the key properties of (1Z)-2-amino-2-imino-N-(3-propan-2-ylanilino)ethanimidoyl cyanide?
(1Z)-2-amino-2-imino-N-(3-propan-2-ylanilino)ethanimidoyl cyanide has a molecular weight of 229.29 g/mol, XLogP of 2.04, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-2-amino-2-imino-N-(3-propan-2-ylanilino)ethanimidoyl cyanide is sourced from PubChem (CID 172980200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).