8-amino-N-[8-[[8-[(8-hydrazinyl-8-oxooctyl)amino]-8-oxooctyl]amino]-8-oxooctyl]octanamide;hydrobromide

C32H65BrN6O4 — CID 54604661

IUPAC8-amino-N-[8-[[8-[(8-hydrazinyl-8-oxooctyl)amino]-8-oxooctyl]amino]-8-oxooctyl]octanamide;hydrobromide
SMILESBr.NCCCCCCCC(=O)NCCCCCCCC(=O)NCCCCCCCC(=O)NCCCCCCCC(=O)NN
InChIInChI=1S/C32H64N6O4.BrH/c33-25-17-9-1-5-13-21-29(39)35-26-18-10-2-6-14-22-30(40)36-27-19-11-3-7-15-23-31(41)37-28-20-12-4-8-16-24-32(42)38-34;/h1-28,33-34H2,(H,35,39)(H,36,40)(H,37,41)(H,38,42);1H
InChIKeySGQYUDUUDIPJEO-UHFFFAOYSA-N
MW677.81 g/mol
LogP5.22
Rot. Bonds31

About 8-amino-N-[8-[[8-[(8-hydrazinyl-8-oxooctyl)amino]-8-oxooctyl]amino]-8-oxooctyl]octanamide;hydrobromide

8-amino-N-[8-[[8-[(8-hydrazinyl-8-oxooctyl)amino]-8-oxooctyl]amino]-8-oxooctyl]octanamide;hydrobromide (PubChem CID 54604661) has the molecular formula C32H65BrN6O4 and a molecular weight of 677.81 g/mol. Its IUPAC name is 8-amino-N-[8-[[8-[(8-hydrazinyl-8-oxooctyl)amino]-8-oxooctyl]amino]-8-oxooctyl]octanamide;hydrobromide.

Molecular Properties

Compound Name8-amino-N-[8-[[8-[(8-hydrazinyl-8-oxooctyl)amino]-8-oxooctyl]amino]-8-oxooctyl]octanamide;hydrobromide
PubChem CID54604661
Molecular FormulaC32H65BrN6O4
Molecular Weight677.81 g/mol
Exact Mass676.43
IUPAC Name8-amino-N-[8-[[8-[(8-hydrazinyl-8-oxooctyl)amino]-8-oxooctyl]amino]-8-oxooctyl]octanamide;hydrobromide
SMILESBr.NCCCCCCCC(=O)NCCCCCCCC(=O)NCCCCCCCC(=O)NCCCCCCCC(=O)NN
InChIInChI=1S/C32H64N6O4.BrH/c33-25-17-9-1-5-13-21-29(39)35-26-18-10-2-6-14-22-30(40)36-27-19-11-3-7-15-23-31(41)37-28-20-12-4-8-16-24-32(42)38-34;/h1-28,33-34H2,(H,35,39)(H,36,40)(H,37,41)(H,38,42);1H
InChIKeySGQYUDUUDIPJEO-UHFFFAOYSA-N
XLogP5.22
TPSA168.44 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds31
Heavy Atoms43
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500677.81
LogP ≤ 55.22
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 8-amino-N-[8-[[8-[(8-hydrazinyl-8-oxooctyl)amino]-8-oxooctyl]amino]-8-oxooctyl]octanamide;hydrobromide?
The IUPAC name of 8-amino-N-[8-[[8-[(8-hydrazinyl-8-oxooctyl)amino]-8-oxooctyl]amino]-8-oxooctyl]octanamide;hydrobromide (CID 54604661) is 8-amino-N-[8-[[8-[(8-hydrazinyl-8-oxooctyl)amino]-8-oxooctyl]amino]-8-oxooctyl]octanamide;hydrobromide.
What is the SMILES notation for 8-amino-N-[8-[[8-[(8-hydrazinyl-8-oxooctyl)amino]-8-oxooctyl]amino]-8-oxooctyl]octanamide;hydrobromide?
The canonical SMILES for 8-amino-N-[8-[[8-[(8-hydrazinyl-8-oxooctyl)amino]-8-oxooctyl]amino]-8-oxooctyl]octanamide;hydrobromide is Br.NCCCCCCCC(=O)NCCCCCCCC(=O)NCCCCCCCC(=O)NCCCCCCCC(=O)NN.
What is the InChIKey of 8-amino-N-[8-[[8-[(8-hydrazinyl-8-oxooctyl)amino]-8-oxooctyl]amino]-8-oxooctyl]octanamide;hydrobromide?
The InChIKey is SGQYUDUUDIPJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H64N6O4.BrH/c33-25-17-9-1-5-13-21-29(39)35-26-18-10-2-6-14-22-30(40)36-27-19-11-3-7-15-23-31(41)37-28-20-12-4-8-16-24-32(42)38-34;/h1-28,33-34H2,(H,35,39)(H,36,40)(H,37,41)(H,38,42);1H.
What are the key properties of 8-amino-N-[8-[[8-[(8-hydrazinyl-8-oxooctyl)amino]-8-oxooctyl]amino]-8-oxooctyl]octanamide;hydrobromide?
8-amino-N-[8-[[8-[(8-hydrazinyl-8-oxooctyl)amino]-8-oxooctyl]amino]-8-oxooctyl]octanamide;hydrobromide has a molecular weight of 677.81 g/mol, XLogP of 5.22, 31 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-N-[8-[[8-[(8-hydrazinyl-8-oxooctyl)amino]-8-oxooctyl]amino]-8-oxooctyl]octanamide;hydrobromide is sourced from PubChem (CID 54604661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).