2-methyl-N-[2-methyl-4-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclopent-2-en-1-yl]-4-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclopenta-2,4-dien-1-amine

C32H57NO2 — CID 145358095

IUPAC2-methyl-N-[2-methyl-4-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclopent-2-en-1-yl]-4-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclopenta-2,4-dien-1-amine
SMILESCC1=CC(CCCCCCOC(C)(C)C)=CC1NC1CC(CCCCCCOC(C)(C)C)C=C1C
InChIInChI=1S/C32H57NO2/c1-25-21-27(17-13-9-11-15-19-34-31(3,4)5)23-29(25)33-30-24-28(22-26(30)2)18-14-10-12-16-20-35-32(6,7)8/h21-23,28-30,33H,9-20,24H2,1-8H3
InChIKeyZLRTUGDUIXQYFK-UHFFFAOYSA-N
MW487.81 g/mol
LogP8.70
Rot. Bonds16

About 2-methyl-N-[2-methyl-4-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclopent-2-en-1-yl]-4-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclopenta-2,4-dien-1-amine

2-methyl-N-[2-methyl-4-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclopent-2-en-1-yl]-4-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclopenta-2,4-dien-1-amine (PubChem CID 145358095) has the molecular formula C32H57NO2 and a molecular weight of 487.81 g/mol. Its IUPAC name is 2-methyl-N-[2-methyl-4-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclopent-2-en-1-yl]-4-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclopenta-2,4-dien-1-amine.

Molecular Properties

Compound Name2-methyl-N-[2-methyl-4-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclopent-2-en-1-yl]-4-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclopenta-2,4-dien-1-amine
PubChem CID145358095
Molecular FormulaC32H57NO2
Molecular Weight487.81 g/mol
Exact Mass487.44
IUPAC Name2-methyl-N-[2-methyl-4-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclopent-2-en-1-yl]-4-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclopenta-2,4-dien-1-amine
SMILESCC1=CC(CCCCCCOC(C)(C)C)=CC1NC1CC(CCCCCCOC(C)(C)C)C=C1C
InChIInChI=1S/C32H57NO2/c1-25-21-27(17-13-9-11-15-19-34-31(3,4)5)23-29(25)33-30-24-28(22-26(30)2)18-14-10-12-16-20-35-32(6,7)8/h21-23,28-30,33H,9-20,24H2,1-8H3
InChIKeyZLRTUGDUIXQYFK-UHFFFAOYSA-N
XLogP8.70
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.81
LogP ≤ 58.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-methyl-N-[2-methyl-4-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclopent-2-en-1-yl]-4-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclopenta-2,4-dien-1-amine 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 2-methyl-N-[2-methyl-4-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclopent-2-en-1-yl]-4-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclopenta-2,4-dien-1-amine?
The IUPAC name of 2-methyl-N-[2-methyl-4-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclopent-2-en-1-yl]-4-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclopenta-2,4-dien-1-amine (CID 145358095) is 2-methyl-N-[2-methyl-4-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclopent-2-en-1-yl]-4-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclopenta-2,4-dien-1-amine.
What is the SMILES notation for 2-methyl-N-[2-methyl-4-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclopent-2-en-1-yl]-4-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclopenta-2,4-dien-1-amine?
The canonical SMILES for 2-methyl-N-[2-methyl-4-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclopent-2-en-1-yl]-4-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclopenta-2,4-dien-1-amine is CC1=CC(CCCCCCOC(C)(C)C)=CC1NC1CC(CCCCCCOC(C)(C)C)C=C1C.
What is the InChIKey of 2-methyl-N-[2-methyl-4-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclopent-2-en-1-yl]-4-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclopenta-2,4-dien-1-amine?
The InChIKey is ZLRTUGDUIXQYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H57NO2/c1-25-21-27(17-13-9-11-15-19-34-31(3,4)5)23-29(25)33-30-24-28(22-26(30)2)18-14-10-12-16-20-35-32(6,7)8/h21-23,28-30,33H,9-20,24H2,1-8H3.
What are the key properties of 2-methyl-N-[2-methyl-4-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclopent-2-en-1-yl]-4-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclopenta-2,4-dien-1-amine?
2-methyl-N-[2-methyl-4-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclopent-2-en-1-yl]-4-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclopenta-2,4-dien-1-amine has a molecular weight of 487.81 g/mol, XLogP of 8.70, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-methyl-4-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclopent-2-en-1-yl]-4-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclopenta-2,4-dien-1-amine is sourced from PubChem (CID 145358095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).