4-[2-(2-cyclohexylidenehydrazinyl)-2-phenylethyl]-N,N-dimethylcyclopenta-1,4-dien-1-amine

C21H29N3 — CID 90761336

IUPAC4-[2-(2-cyclohexylidenehydrazinyl)-2-phenylethyl]-N,N-dimethylcyclopenta-1,4-dien-1-amine
SMILESCN(C)C1=CCC(CC(NN=C2CCCCC2)c2ccccc2)=C1
InChIInChI=1S/C21H29N3/c1-24(2)20-14-13-17(15-20)16-21(18-9-5-3-6-10-18)23-22-19-11-7-4-8-12-19/h3,5-6,9-10,14-15,21,23H,4,7-8,11-13,16H2,1-2H3
InChIKeyNDXUPRAXFIBKKG-UHFFFAOYSA-N
MW323.48 g/mol
LogP4.80
Rot. Bonds6

About 4-[2-(2-cyclohexylidenehydrazinyl)-2-phenylethyl]-N,N-dimethylcyclopenta-1,4-dien-1-amine

4-[2-(2-cyclohexylidenehydrazinyl)-2-phenylethyl]-N,N-dimethylcyclopenta-1,4-dien-1-amine (PubChem CID 90761336) has the molecular formula C21H29N3 and a molecular weight of 323.48 g/mol. Its IUPAC name is 4-[2-(2-cyclohexylidenehydrazinyl)-2-phenylethyl]-N,N-dimethylcyclopenta-1,4-dien-1-amine.

Molecular Properties

Compound Name4-[2-(2-cyclohexylidenehydrazinyl)-2-phenylethyl]-N,N-dimethylcyclopenta-1,4-dien-1-amine
PubChem CID90761336
Molecular FormulaC21H29N3
Molecular Weight323.48 g/mol
Exact Mass323.24
IUPAC Name4-[2-(2-cyclohexylidenehydrazinyl)-2-phenylethyl]-N,N-dimethylcyclopenta-1,4-dien-1-amine
SMILESCN(C)C1=CCC(CC(NN=C2CCCCC2)c2ccccc2)=C1
InChIInChI=1S/C21H29N3/c1-24(2)20-14-13-17(15-20)16-21(18-9-5-3-6-10-18)23-22-19-11-7-4-8-12-19/h3,5-6,9-10,14-15,21,23H,4,7-8,11-13,16H2,1-2H3
InChIKeyNDXUPRAXFIBKKG-UHFFFAOYSA-N
XLogP4.80
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 4-[2-(2-cyclohexylidenehydrazinyl)-2-phenylethyl]-N,N-dimethylcyclopenta-1,4-dien-1-amine?
The IUPAC name of 4-[2-(2-cyclohexylidenehydrazinyl)-2-phenylethyl]-N,N-dimethylcyclopenta-1,4-dien-1-amine (CID 90761336) is 4-[2-(2-cyclohexylidenehydrazinyl)-2-phenylethyl]-N,N-dimethylcyclopenta-1,4-dien-1-amine.
What is the SMILES notation for 4-[2-(2-cyclohexylidenehydrazinyl)-2-phenylethyl]-N,N-dimethylcyclopenta-1,4-dien-1-amine?
The canonical SMILES for 4-[2-(2-cyclohexylidenehydrazinyl)-2-phenylethyl]-N,N-dimethylcyclopenta-1,4-dien-1-amine is CN(C)C1=CCC(CC(NN=C2CCCCC2)c2ccccc2)=C1.
What is the InChIKey of 4-[2-(2-cyclohexylidenehydrazinyl)-2-phenylethyl]-N,N-dimethylcyclopenta-1,4-dien-1-amine?
The InChIKey is NDXUPRAXFIBKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3/c1-24(2)20-14-13-17(15-20)16-21(18-9-5-3-6-10-18)23-22-19-11-7-4-8-12-19/h3,5-6,9-10,14-15,21,23H,4,7-8,11-13,16H2,1-2H3.
What are the key properties of 4-[2-(2-cyclohexylidenehydrazinyl)-2-phenylethyl]-N,N-dimethylcyclopenta-1,4-dien-1-amine?
4-[2-(2-cyclohexylidenehydrazinyl)-2-phenylethyl]-N,N-dimethylcyclopenta-1,4-dien-1-amine has a molecular weight of 323.48 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-cyclohexylidenehydrazinyl)-2-phenylethyl]-N,N-dimethylcyclopenta-1,4-dien-1-amine is sourced from PubChem (CID 90761336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).