(1-butylcyclohexyl)-phenyldiazene

C16H24N2 — CID 134996647

IUPAC(1-butylcyclohexyl)-phenyldiazene
SMILESCCCCC1(/N=N/c2ccccc2)CCCCC1
InChIInChI=1S/C16H24N2/c1-2-3-12-16(13-8-5-9-14-16)18-17-15-10-6-4-7-11-15/h4,6-7,10-11H,2-3,5,8-9,12-14H2,1H3/b18-17+
InChIKeyAYUHSHNFLIMVAF-ISLYRVAYSA-N
MW244.38 g/mol
LogP5.66
Rot. Bonds5

About (1-butylcyclohexyl)-phenyldiazene

(1-butylcyclohexyl)-phenyldiazene (PubChem CID 134996647) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is (1-butylcyclohexyl)-phenyldiazene.

Molecular Properties

Compound Name(1-butylcyclohexyl)-phenyldiazene
PubChem CID134996647
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name(1-butylcyclohexyl)-phenyldiazene
SMILESCCCCC1(/N=N/c2ccccc2)CCCCC1
InChIInChI=1S/C16H24N2/c1-2-3-12-16(13-8-5-9-14-16)18-17-15-10-6-4-7-11-15/h4,6-7,10-11H,2-3,5,8-9,12-14H2,1H3/b18-17+
InChIKeyAYUHSHNFLIMVAF-ISLYRVAYSA-N
XLogP5.66
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.38
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

(1-butylcyclobutyl)benzene
CID 57200184
(1-butylcyclohexyl)phosphane;diphenylphosphane
CID 174798687
(1-octylcyclohexyl)methylbenzene
CID 90738886
(4-butyl-4-nitrocyclohexa-1,5-dien-1-yl)-phenyldiazene
CID 175213041
2-(1-pentylcyclohexyl)benzoic acid
CID 22401965
1-butyl-1-(1-butylcyclohexyl)cyclohexane
CID 173069670
[(1S)-1-butyl-2-methylidenecyclopropyl]benzene
CID 102163735
[(1R,2S)-1-butyl-2-methylcyclopropyl]benzene
CID 101248337
1-(1-phenylcyclohexyl)pentan-1-ol
CID 55187170
octoxy(phenyl)diazene
CID 19023895
1-decyl-1-isocyanatocyclohexane
CID 139909282
1-(1-butylcyclohexyl)oxynaphthalene
CID 66926599

Frequently Asked Questions

What is the IUPAC name of (1-butylcyclohexyl)-phenyldiazene?
The IUPAC name of (1-butylcyclohexyl)-phenyldiazene (CID 134996647) is (1-butylcyclohexyl)-phenyldiazene.
What is the SMILES notation for (1-butylcyclohexyl)-phenyldiazene?
The canonical SMILES for (1-butylcyclohexyl)-phenyldiazene is CCCCC1(/N=N/c2ccccc2)CCCCC1.
What is the InChIKey of (1-butylcyclohexyl)-phenyldiazene?
The InChIKey is AYUHSHNFLIMVAF-ISLYRVAYSA-N. The full InChI is InChI=1S/C16H24N2/c1-2-3-12-16(13-8-5-9-14-16)18-17-15-10-6-4-7-11-15/h4,6-7,10-11H,2-3,5,8-9,12-14H2,1H3/b18-17+.
What are the key properties of (1-butylcyclohexyl)-phenyldiazene?
(1-butylcyclohexyl)-phenyldiazene has a molecular weight of 244.38 g/mol, XLogP of 5.66, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-butylcyclohexyl)-phenyldiazene is sourced from PubChem (CID 134996647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).