[4-(dimethyl-λ3-iodanyl)cyclohexyl]diazene

C8H17IN2 — CID 163581148

IUPAC[4-(dimethyl-λ3-iodanyl)cyclohexyl]diazene
SMILES[H]/N=N/C1CCC(I(C)C)CC1
InChIInChI=1S/C8H17IN2/c1-9(2)7-3-5-8(11-10)6-4-7/h7-8,10H,3-6H2,1-2H3/b11-10+
InChIKeyGHQCYABELHIITD-ZHACJKMWSA-N
MW268.14 g/mol
LogP3.09
Rot. Bonds2

About [4-(dimethyl-λ3-iodanyl)cyclohexyl]diazene

[4-(dimethyl-λ3-iodanyl)cyclohexyl]diazene (PubChem CID 163581148) has the molecular formula C8H17IN2 and a molecular weight of 268.14 g/mol. Its IUPAC name is [4-(dimethyl-λ3-iodanyl)cyclohexyl]diazene.

Molecular Properties

Compound Name[4-(dimethyl-λ3-iodanyl)cyclohexyl]diazene
PubChem CID163581148
Molecular FormulaC8H17IN2
Molecular Weight268.14 g/mol
Exact Mass268.04
IUPAC Name[4-(dimethyl-λ3-iodanyl)cyclohexyl]diazene
SMILES[H]/N=N/C1CCC(I(C)C)CC1
InChIInChI=1S/C8H17IN2/c1-9(2)7-3-5-8(11-10)6-4-7/h7-8,10H,3-6H2,1-2H3/b11-10+
InChIKeyGHQCYABELHIITD-ZHACJKMWSA-N
XLogP3.09
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.14
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-diazenylcyclohexan-1-amine
CID 153231015
3-diazenylcyclohexan-1-imine
CID 70545164
oxolan-2-yldiazene
CID 15787091
3-cyclopropyliminopropanimidoyl chloride
CID 123541811
4-diazenyl-1,3-dimethylimidazolidin-2-one
CID 70339648
9-bicyclo[3.3.1]non-2-enyldiazene
CID 70171955
5-diazenyl-7-methyl-1,3-dioxa-2-azanidacyclooctane-4,8-dione
CID 163546354
1-(diazenylmethyl)-4-methylsulfonylcyclohexan-1-amine
CID 153377533
1-[4-[5-[4-(diaminomethylideneamino)cyclohexyl]-1,3,4-oxadiazolidin-2-yl]cyclohexyl]guanidine
CID 176539263
diazenyldiazene
CID 19878547
2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-yldiazene
CID 57170884
3-diazenylpent-3-ene-1-thiol
CID 123454501

Frequently Asked Questions

What is the IUPAC name of [4-(dimethyl-λ3-iodanyl)cyclohexyl]diazene?
The IUPAC name of [4-(dimethyl-λ3-iodanyl)cyclohexyl]diazene (CID 163581148) is [4-(dimethyl-λ3-iodanyl)cyclohexyl]diazene.
What is the SMILES notation for [4-(dimethyl-λ3-iodanyl)cyclohexyl]diazene?
The canonical SMILES for [4-(dimethyl-λ3-iodanyl)cyclohexyl]diazene is [H]/N=N/C1CCC(I(C)C)CC1.
What is the InChIKey of [4-(dimethyl-λ3-iodanyl)cyclohexyl]diazene?
The InChIKey is GHQCYABELHIITD-ZHACJKMWSA-N. The full InChI is InChI=1S/C8H17IN2/c1-9(2)7-3-5-8(11-10)6-4-7/h7-8,10H,3-6H2,1-2H3/b11-10+.
What are the key properties of [4-(dimethyl-λ3-iodanyl)cyclohexyl]diazene?
[4-(dimethyl-λ3-iodanyl)cyclohexyl]diazene has a molecular weight of 268.14 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethyl-λ3-iodanyl)cyclohexyl]diazene is sourced from PubChem (CID 163581148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).