10,11-bis[8-(aminodiazenyl)octyl]icosane

C36H76N6 — CID 121440814

IUPAC10,11-bis[8-(aminodiazenyl)octyl]icosane
SMILESCCCCCCCCCC(CCCCCCCC/N=N/N)C(CCCCCCCCC)CCCCCCCC/N=N/N
InChIInChI=1S/C36H76N6/c1-3-5-7-9-11-17-23-29-35(31-25-19-13-15-21-27-33-39-41-37)36(30-24-18-12-10-8-6-4-2)32-26-20-14-16-22-28-34-40-42-38/h35-36H,3-34H2,1-2H3,(H2,37,39)(H2,38,40)
InChIKeySMZRJQFWTXVONL-UHFFFAOYSA-N
MW593.05 g/mol
LogP12.61
Rot. Bonds35

About 10,11-bis[8-(aminodiazenyl)octyl]icosane

10,11-bis[8-(aminodiazenyl)octyl]icosane (PubChem CID 121440814) has the molecular formula C36H76N6 and a molecular weight of 593.05 g/mol. Its IUPAC name is 10,11-bis[8-(aminodiazenyl)octyl]icosane.

Molecular Properties

Compound Name10,11-bis[8-(aminodiazenyl)octyl]icosane
PubChem CID121440814
Molecular FormulaC36H76N6
Molecular Weight593.05 g/mol
Exact Mass592.61
IUPAC Name10,11-bis[8-(aminodiazenyl)octyl]icosane
SMILESCCCCCCCCCC(CCCCCCCC/N=N/N)C(CCCCCCCCC)CCCCCCCC/N=N/N
InChIInChI=1S/C36H76N6/c1-3-5-7-9-11-17-23-29-35(31-25-19-13-15-21-27-33-39-41-37)36(30-24-18-12-10-8-6-4-2)32-26-20-14-16-22-28-34-40-42-38/h35-36H,3-34H2,1-2H3,(H2,37,39)(H2,38,40)
InChIKeySMZRJQFWTXVONL-UHFFFAOYSA-N
XLogP12.61
TPSA101.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds35
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.05
LogP ≤ 512.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

9,10-dioctylhexacosane
CID 21470284
7,8-dihexylicosane
CID 21490611
8,9-dibutylhexadecane
CID 530025
4,5-dipropyltetradecane
CID 21490606
8-hexyl-7-propyltriacontane
CID 21490607
7,8-dipropyltetradecane
CID 530307
9,10-dioctylhenicosan-1-amine
CID 123803716
19-heptadecan-3-ylnonatriacontane
CID 57212477
6-ethyl-7-pentyltetradecane
CID 123140274
6,7-dipropyldodecane
CID 529940
2-methyl-10,11-bis(8-methylnonyl)docosane
CID 173154476
5-butyl-6-ethyldodecane
CID 529932

Frequently Asked Questions

What is the IUPAC name of 10,11-bis[8-(aminodiazenyl)octyl]icosane?
The IUPAC name of 10,11-bis[8-(aminodiazenyl)octyl]icosane (CID 121440814) is 10,11-bis[8-(aminodiazenyl)octyl]icosane.
What is the SMILES notation for 10,11-bis[8-(aminodiazenyl)octyl]icosane?
The canonical SMILES for 10,11-bis[8-(aminodiazenyl)octyl]icosane is CCCCCCCCCC(CCCCCCCC/N=N/N)C(CCCCCCCCC)CCCCCCCC/N=N/N.
What is the InChIKey of 10,11-bis[8-(aminodiazenyl)octyl]icosane?
The InChIKey is SMZRJQFWTXVONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H76N6/c1-3-5-7-9-11-17-23-29-35(31-25-19-13-15-21-27-33-39-41-37)36(30-24-18-12-10-8-6-4-2)32-26-20-14-16-22-28-34-40-42-38/h35-36H,3-34H2,1-2H3,(H2,37,39)(H2,38,40).
What are the key properties of 10,11-bis[8-(aminodiazenyl)octyl]icosane?
10,11-bis[8-(aminodiazenyl)octyl]icosane has a molecular weight of 593.05 g/mol, XLogP of 12.61, 35 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10,11-bis[8-(aminodiazenyl)octyl]icosane is sourced from PubChem (CID 121440814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).