[1-(2-adamantyl)-1-chloroethyl]-[1-(2-adamantyl)ethyl]diazene

C24H37ClN2 — CID 21387086

IUPAC[1-(2-adamantyl)-1-chloroethyl]-[1-(2-adamantyl)ethyl]diazene
SMILESCC(/N=N/C(C)(Cl)C1C2CC3CC(C2)CC1C3)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C24H37ClN2/c1-13(22-18-5-14-3-15(7-18)8-19(22)6-14)26-27-24(2,25)23-20-9-16-4-17(11-20)12-21(23)10-16/h13-23H,3-12H2,1-2H3/b27-26+
InChIKeyYROJCDZWTWULGM-CYYJNZCTSA-N
MW389.03 g/mol
LogP6.93
Rot. Bonds4

About [1-(2-adamantyl)-1-chloroethyl]-[1-(2-adamantyl)ethyl]diazene

[1-(2-adamantyl)-1-chloroethyl]-[1-(2-adamantyl)ethyl]diazene (PubChem CID 21387086) has the molecular formula C24H37ClN2 and a molecular weight of 389.03 g/mol. Its IUPAC name is [1-(2-adamantyl)-1-chloroethyl]-[1-(2-adamantyl)ethyl]diazene.

Molecular Properties

Compound Name[1-(2-adamantyl)-1-chloroethyl]-[1-(2-adamantyl)ethyl]diazene
PubChem CID21387086
Molecular FormulaC24H37ClN2
Molecular Weight389.03 g/mol
Exact Mass388.26
IUPAC Name[1-(2-adamantyl)-1-chloroethyl]-[1-(2-adamantyl)ethyl]diazene
SMILESCC(/N=N/C(C)(Cl)C1C2CC3CC(C2)CC1C3)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C24H37ClN2/c1-13(22-18-5-14-3-15(7-18)8-19(22)6-14)26-27-24(2,25)23-20-9-16-4-17(11-20)12-21(23)10-16/h13-23H,3-12H2,1-2H3/b27-26+
InChIKeyYROJCDZWTWULGM-CYYJNZCTSA-N
XLogP6.93
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.03
LogP ≤ 56.93
H-Bond Donors ≤ 50
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': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-(2-adamantyl)-1-chloroethyl]-[1-(2-adamantyl)ethyl]diazene?
The IUPAC name of [1-(2-adamantyl)-1-chloroethyl]-[1-(2-adamantyl)ethyl]diazene (CID 21387086) is [1-(2-adamantyl)-1-chloroethyl]-[1-(2-adamantyl)ethyl]diazene.
What is the SMILES notation for [1-(2-adamantyl)-1-chloroethyl]-[1-(2-adamantyl)ethyl]diazene?
The canonical SMILES for [1-(2-adamantyl)-1-chloroethyl]-[1-(2-adamantyl)ethyl]diazene is CC(/N=N/C(C)(Cl)C1C2CC3CC(C2)CC1C3)C1C2CC3CC(C2)CC1C3.
What is the InChIKey of [1-(2-adamantyl)-1-chloroethyl]-[1-(2-adamantyl)ethyl]diazene?
The InChIKey is YROJCDZWTWULGM-CYYJNZCTSA-N. The full InChI is InChI=1S/C24H37ClN2/c1-13(22-18-5-14-3-15(7-18)8-19(22)6-14)26-27-24(2,25)23-20-9-16-4-17(11-20)12-21(23)10-16/h13-23H,3-12H2,1-2H3/b27-26+.
What are the key properties of [1-(2-adamantyl)-1-chloroethyl]-[1-(2-adamantyl)ethyl]diazene?
[1-(2-adamantyl)-1-chloroethyl]-[1-(2-adamantyl)ethyl]diazene has a molecular weight of 389.03 g/mol, XLogP of 6.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-adamantyl)-1-chloroethyl]-[1-(2-adamantyl)ethyl]diazene is sourced from PubChem (CID 21387086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).