1-methoxyundecan-2-yl(6-pyrrol-1-ylhexyl)diazene

C22H41N3O — CID 58935096

IUPAC1-methoxyundecan-2-yl(6-pyrrol-1-ylhexyl)diazene
SMILESCCCCCCCCCC(COC)/N=N/CCCCCCn1cccc1
InChIInChI=1S/C22H41N3O/c1-3-4-5-6-7-8-11-16-22(21-26-2)24-23-17-12-9-10-13-18-25-19-14-15-20-25/h14-15,19-20,22H,3-13,16-18,21H2,1-2H3/b24-23+
InChIKeyZMGIWVDTFPKHRF-WCWDXBQESA-N
MW363.59 g/mol
LogP6.66
Rot. Bonds18

About 1-methoxyundecan-2-yl(6-pyrrol-1-ylhexyl)diazene

1-methoxyundecan-2-yl(6-pyrrol-1-ylhexyl)diazene (PubChem CID 58935096) has the molecular formula C22H41N3O and a molecular weight of 363.59 g/mol. Its IUPAC name is 1-methoxyundecan-2-yl(6-pyrrol-1-ylhexyl)diazene.

Molecular Properties

Compound Name1-methoxyundecan-2-yl(6-pyrrol-1-ylhexyl)diazene
PubChem CID58935096
Molecular FormulaC22H41N3O
Molecular Weight363.59 g/mol
Exact Mass363.32
IUPAC Name1-methoxyundecan-2-yl(6-pyrrol-1-ylhexyl)diazene
SMILESCCCCCCCCCC(COC)/N=N/CCCCCCn1cccc1
InChIInChI=1S/C22H41N3O/c1-3-4-5-6-7-8-11-16-22(21-26-2)24-23-17-12-9-10-13-18-25-19-14-15-20-25/h14-15,19-20,22H,3-13,16-18,21H2,1-2H3/b24-23+
InChIKeyZMGIWVDTFPKHRF-WCWDXBQESA-N
XLogP6.66
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.59
LogP ≤ 56.66
H-Bond Donors ≤ 50
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'}

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Related Compounds

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CID 13408540
ethyl 2-(heptyldiazenyl)propanoate
CID 54013440
N-heptyl-1-[4-(4-heptylimino-1-pyridinyl)butyl]pyridin-4-imine
CID 13408472
19-(methoxymethyl)heptatriacontane
CID 59499210
1-methoxy-2-methyldecane
CID 13444249
2-(heptyldiazenyl)propanoic acid
CID 54527680
N-octyl-1-[10-(4-octylimino-1-pyridinyl)decyl]pyridin-4-imine dichloride
CID 170923435
1-methoxy-2,12-dimethyldocosane
CID 91752253
hexan-2-yl(pentyl)diazene
CID 141139949

Frequently Asked Questions

What is the IUPAC name of 1-methoxyundecan-2-yl(6-pyrrol-1-ylhexyl)diazene?
The IUPAC name of 1-methoxyundecan-2-yl(6-pyrrol-1-ylhexyl)diazene (CID 58935096) is 1-methoxyundecan-2-yl(6-pyrrol-1-ylhexyl)diazene.
What is the SMILES notation for 1-methoxyundecan-2-yl(6-pyrrol-1-ylhexyl)diazene?
The canonical SMILES for 1-methoxyundecan-2-yl(6-pyrrol-1-ylhexyl)diazene is CCCCCCCCCC(COC)/N=N/CCCCCCn1cccc1.
What is the InChIKey of 1-methoxyundecan-2-yl(6-pyrrol-1-ylhexyl)diazene?
The InChIKey is ZMGIWVDTFPKHRF-WCWDXBQESA-N. The full InChI is InChI=1S/C22H41N3O/c1-3-4-5-6-7-8-11-16-22(21-26-2)24-23-17-12-9-10-13-18-25-19-14-15-20-25/h14-15,19-20,22H,3-13,16-18,21H2,1-2H3/b24-23+.
What are the key properties of 1-methoxyundecan-2-yl(6-pyrrol-1-ylhexyl)diazene?
1-methoxyundecan-2-yl(6-pyrrol-1-ylhexyl)diazene has a molecular weight of 363.59 g/mol, XLogP of 6.66, 18 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxyundecan-2-yl(6-pyrrol-1-ylhexyl)diazene is sourced from PubChem (CID 58935096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).