N',2-dicyano-N-(4-methylpent-2-enyl)-N-pentylethanimidamide

C15H24N4 — CID 54405319

IUPACN',2-dicyano-N-(4-methylpent-2-enyl)-N-pentylethanimidamide
SMILESCCCCCN(CC=CC(C)C)/C(CC#N)=N/C#N
InChIInChI=1S/C15H24N4/c1-4-5-6-11-19(12-7-8-14(2)3)15(9-10-16)18-13-17/h7-8,14H,4-6,9,11-12H2,1-3H3/b8-7?,18-15+
InChIKeyVQHAHNBIXLFHNC-RUQNCZIBSA-N
MW260.38 g/mol
LogP3.48
Rot. Bonds8

About N',2-dicyano-N-(4-methylpent-2-enyl)-N-pentylethanimidamide

N',2-dicyano-N-(4-methylpent-2-enyl)-N-pentylethanimidamide (PubChem CID 54405319) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is N',2-dicyano-N-(4-methylpent-2-enyl)-N-pentylethanimidamide.

Molecular Properties

Compound NameN',2-dicyano-N-(4-methylpent-2-enyl)-N-pentylethanimidamide
PubChem CID54405319
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC NameN',2-dicyano-N-(4-methylpent-2-enyl)-N-pentylethanimidamide
SMILESCCCCCN(CC=CC(C)C)/C(CC#N)=N/C#N
InChIInChI=1S/C15H24N4/c1-4-5-6-11-19(12-7-8-14(2)3)15(9-10-16)18-13-17/h7-8,14H,4-6,9,11-12H2,1-3H3/b8-7?,18-15+
InChIKeyVQHAHNBIXLFHNC-RUQNCZIBSA-N
XLogP3.48
TPSA63.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N',2-dicyano-N-(4-methylpent-2-enyl)-N-pentylethanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N',2-dicyano-N-(4-methylpent-2-enyl)-N-pentylethanimidamide?
The IUPAC name of N',2-dicyano-N-(4-methylpent-2-enyl)-N-pentylethanimidamide (CID 54405319) is N',2-dicyano-N-(4-methylpent-2-enyl)-N-pentylethanimidamide.
What is the SMILES notation for N',2-dicyano-N-(4-methylpent-2-enyl)-N-pentylethanimidamide?
The canonical SMILES for N',2-dicyano-N-(4-methylpent-2-enyl)-N-pentylethanimidamide is CCCCCN(CC=CC(C)C)/C(CC#N)=N/C#N.
What is the InChIKey of N',2-dicyano-N-(4-methylpent-2-enyl)-N-pentylethanimidamide?
The InChIKey is VQHAHNBIXLFHNC-RUQNCZIBSA-N. The full InChI is InChI=1S/C15H24N4/c1-4-5-6-11-19(12-7-8-14(2)3)15(9-10-16)18-13-17/h7-8,14H,4-6,9,11-12H2,1-3H3/b8-7?,18-15+.
What are the key properties of N',2-dicyano-N-(4-methylpent-2-enyl)-N-pentylethanimidamide?
N',2-dicyano-N-(4-methylpent-2-enyl)-N-pentylethanimidamide has a molecular weight of 260.38 g/mol, XLogP of 3.48, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',2-dicyano-N-(4-methylpent-2-enyl)-N-pentylethanimidamide is sourced from PubChem (CID 54405319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).