(1E)-2-(diethylamino)-2-imino-N-(4-methylanilino)ethanimidoyl cyanide

C14H19N5 — CID 6415618

IUPAC(1E)-2-(diethylamino)-2-imino-N-(4-methylanilino)ethanimidoyl cyanide
SMILES[H]/N=C(C(/C#N)=N/Nc1ccc(C)cc1)\N(CC)CC
InChIInChI=1S/C14H19N5/c1-4-19(5-2)14(16)13(10-15)18-17-12-8-6-11(3)7-9-12/h6-9,16-17H,4-5H2,1-3H3/b16-14-,18-13+
InChIKeyMWAVANUKKAQYMB-XORKRYJBSA-N
MW257.34 g/mol
LogP2.61
Rot. Bonds5

About (1E)-2-(diethylamino)-2-imino-N-(4-methylanilino)ethanimidoyl cyanide

(1E)-2-(diethylamino)-2-imino-N-(4-methylanilino)ethanimidoyl cyanide (PubChem CID 6415618) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is (1E)-2-(diethylamino)-2-imino-N-(4-methylanilino)ethanimidoyl cyanide.

Molecular Properties

Compound Name(1E)-2-(diethylamino)-2-imino-N-(4-methylanilino)ethanimidoyl cyanide
PubChem CID6415618
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name(1E)-2-(diethylamino)-2-imino-N-(4-methylanilino)ethanimidoyl cyanide
SMILES[H]/N=C(C(/C#N)=N/Nc1ccc(C)cc1)\N(CC)CC
InChIInChI=1S/C14H19N5/c1-4-19(5-2)14(16)13(10-15)18-17-12-8-6-11(3)7-9-12/h6-9,16-17H,4-5H2,1-3H3/b16-14-,18-13+
InChIKeyMWAVANUKKAQYMB-XORKRYJBSA-N
XLogP2.61
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.61
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of (1E)-2-(diethylamino)-2-imino-N-(4-methylanilino)ethanimidoyl cyanide?
The IUPAC name of (1E)-2-(diethylamino)-2-imino-N-(4-methylanilino)ethanimidoyl cyanide (CID 6415618) is (1E)-2-(diethylamino)-2-imino-N-(4-methylanilino)ethanimidoyl cyanide.
What is the SMILES notation for (1E)-2-(diethylamino)-2-imino-N-(4-methylanilino)ethanimidoyl cyanide?
The canonical SMILES for (1E)-2-(diethylamino)-2-imino-N-(4-methylanilino)ethanimidoyl cyanide is [H]/N=C(C(/C#N)=N/Nc1ccc(C)cc1)\N(CC)CC.
What is the InChIKey of (1E)-2-(diethylamino)-2-imino-N-(4-methylanilino)ethanimidoyl cyanide?
The InChIKey is MWAVANUKKAQYMB-XORKRYJBSA-N. The full InChI is InChI=1S/C14H19N5/c1-4-19(5-2)14(16)13(10-15)18-17-12-8-6-11(3)7-9-12/h6-9,16-17H,4-5H2,1-3H3/b16-14-,18-13+.
What are the key properties of (1E)-2-(diethylamino)-2-imino-N-(4-methylanilino)ethanimidoyl cyanide?
(1E)-2-(diethylamino)-2-imino-N-(4-methylanilino)ethanimidoyl cyanide has a molecular weight of 257.34 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-2-(diethylamino)-2-imino-N-(4-methylanilino)ethanimidoyl cyanide is sourced from PubChem (CID 6415618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).