(1E)-2-imino-N-(4-methylanilino)-2-piperidin-1-ylethanimidoyl cyanide

C15H19N5 — CID 6401658

IUPAC(1E)-2-imino-N-(4-methylanilino)-2-piperidin-1-ylethanimidoyl cyanide
SMILES[H]/N=C(C(/C#N)=N/Nc1ccc(C)cc1)\N1CCCCC1
InChIInChI=1S/C15H19N5/c1-12-5-7-13(8-6-12)18-19-14(11-16)15(17)20-9-3-2-4-10-20/h5-8,17-18H,2-4,9-10H2,1H3/b17-15-,19-14+
InChIKeySIEYPLBBVFUPJU-DXPAPTNOSA-N
MW269.35 g/mol
LogP2.75
Rot. Bonds3

About (1E)-2-imino-N-(4-methylanilino)-2-piperidin-1-ylethanimidoyl cyanide

(1E)-2-imino-N-(4-methylanilino)-2-piperidin-1-ylethanimidoyl cyanide (PubChem CID 6401658) has the molecular formula C15H19N5 and a molecular weight of 269.35 g/mol. Its IUPAC name is (1E)-2-imino-N-(4-methylanilino)-2-piperidin-1-ylethanimidoyl cyanide.

Molecular Properties

Compound Name(1E)-2-imino-N-(4-methylanilino)-2-piperidin-1-ylethanimidoyl cyanide
PubChem CID6401658
Molecular FormulaC15H19N5
Molecular Weight269.35 g/mol
Exact Mass269.16
IUPAC Name(1E)-2-imino-N-(4-methylanilino)-2-piperidin-1-ylethanimidoyl cyanide
SMILES[H]/N=C(C(/C#N)=N/Nc1ccc(C)cc1)\N1CCCCC1
InChIInChI=1S/C15H19N5/c1-12-5-7-13(8-6-12)18-19-14(11-16)15(17)20-9-3-2-4-10-20/h5-8,17-18H,2-4,9-10H2,1H3/b17-15-,19-14+
InChIKeySIEYPLBBVFUPJU-DXPAPTNOSA-N
XLogP2.75
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.75
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-imino-N-(4-methylanilino)-2-piperidin-1-ylethanimidoyl cyanide?
The IUPAC name of (1E)-2-imino-N-(4-methylanilino)-2-piperidin-1-ylethanimidoyl cyanide (CID 6401658) is (1E)-2-imino-N-(4-methylanilino)-2-piperidin-1-ylethanimidoyl cyanide.
What is the SMILES notation for (1E)-2-imino-N-(4-methylanilino)-2-piperidin-1-ylethanimidoyl cyanide?
The canonical SMILES for (1E)-2-imino-N-(4-methylanilino)-2-piperidin-1-ylethanimidoyl cyanide is [H]/N=C(C(/C#N)=N/Nc1ccc(C)cc1)\N1CCCCC1.
What is the InChIKey of (1E)-2-imino-N-(4-methylanilino)-2-piperidin-1-ylethanimidoyl cyanide?
The InChIKey is SIEYPLBBVFUPJU-DXPAPTNOSA-N. The full InChI is InChI=1S/C15H19N5/c1-12-5-7-13(8-6-12)18-19-14(11-16)15(17)20-9-3-2-4-10-20/h5-8,17-18H,2-4,9-10H2,1H3/b17-15-,19-14+.
What are the key properties of (1E)-2-imino-N-(4-methylanilino)-2-piperidin-1-ylethanimidoyl cyanide?
(1E)-2-imino-N-(4-methylanilino)-2-piperidin-1-ylethanimidoyl cyanide has a molecular weight of 269.35 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-2-imino-N-(4-methylanilino)-2-piperidin-1-ylethanimidoyl cyanide is sourced from PubChem (CID 6401658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).