1-(5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-1-hexyl-2-[3-(4-methoxyphenyl)propyl]hydrazine

C28H42N2O3 — CID 67716680

IUPAC1-(5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-1-hexyl-2-[3-(4-methoxyphenyl)propyl]hydrazine
SMILESCCCCCCN(NCCCc1ccc(OC)cc1)C1CCc2c(ccc(OC)c2OC)C1
InChIInChI=1S/C28H42N2O3/c1-5-6-7-8-20-30(29-19-9-10-22-11-15-25(31-2)16-12-22)24-14-17-26-23(21-24)13-18-27(32-3)28(26)33-4/h11-13,15-16,18,24,29H,5-10,14,17,19-21H2,1-4H3
InChIKeyCETBFLNXCSPEFD-UHFFFAOYSA-N
MW454.66 g/mol
LogP5.59
Rot. Bonds14

About 1-(5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-1-hexyl-2-[3-(4-methoxyphenyl)propyl]hydrazine

1-(5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-1-hexyl-2-[3-(4-methoxyphenyl)propyl]hydrazine (PubChem CID 67716680) has the molecular formula C28H42N2O3 and a molecular weight of 454.66 g/mol. Its IUPAC name is 1-(5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-1-hexyl-2-[3-(4-methoxyphenyl)propyl]hydrazine.

Molecular Properties

Compound Name1-(5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-1-hexyl-2-[3-(4-methoxyphenyl)propyl]hydrazine
PubChem CID67716680
Molecular FormulaC28H42N2O3
Molecular Weight454.66 g/mol
Exact Mass454.32
IUPAC Name1-(5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-1-hexyl-2-[3-(4-methoxyphenyl)propyl]hydrazine
SMILESCCCCCCN(NCCCc1ccc(OC)cc1)C1CCc2c(ccc(OC)c2OC)C1
InChIInChI=1S/C28H42N2O3/c1-5-6-7-8-20-30(29-19-9-10-22-11-15-25(31-2)16-12-22)24-14-17-26-23(21-24)13-18-27(32-3)28(26)33-4/h11-13,15-16,18,24,29H,5-10,14,17,19-21H2,1-4H3
InChIKeyCETBFLNXCSPEFD-UHFFFAOYSA-N
XLogP5.59
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.66
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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 1-(5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-1-hexyl-2-[3-(4-methoxyphenyl)propyl]hydrazine?
The IUPAC name of 1-(5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-1-hexyl-2-[3-(4-methoxyphenyl)propyl]hydrazine (CID 67716680) is 1-(5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-1-hexyl-2-[3-(4-methoxyphenyl)propyl]hydrazine.
What is the SMILES notation for 1-(5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-1-hexyl-2-[3-(4-methoxyphenyl)propyl]hydrazine?
The canonical SMILES for 1-(5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-1-hexyl-2-[3-(4-methoxyphenyl)propyl]hydrazine is CCCCCCN(NCCCc1ccc(OC)cc1)C1CCc2c(ccc(OC)c2OC)C1.
What is the InChIKey of 1-(5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-1-hexyl-2-[3-(4-methoxyphenyl)propyl]hydrazine?
The InChIKey is CETBFLNXCSPEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H42N2O3/c1-5-6-7-8-20-30(29-19-9-10-22-11-15-25(31-2)16-12-22)24-14-17-26-23(21-24)13-18-27(32-3)28(26)33-4/h11-13,15-16,18,24,29H,5-10,14,17,19-21H2,1-4H3.
What are the key properties of 1-(5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-1-hexyl-2-[3-(4-methoxyphenyl)propyl]hydrazine?
1-(5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-1-hexyl-2-[3-(4-methoxyphenyl)propyl]hydrazine has a molecular weight of 454.66 g/mol, XLogP of 5.59, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-1-hexyl-2-[3-(4-methoxyphenyl)propyl]hydrazine is sourced from PubChem (CID 67716680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).