(1-azidocyclohexyl)-propan-2-yldiazene

C9H17N5 — CID 21386991

IUPAC(1-azidocyclohexyl)-propan-2-yldiazene
SMILESCC(C)/N=N/C1(N=[N+]=[N-])CCCCC1
InChIInChI=1S/C9H17N5/c1-8(2)11-12-9(13-14-10)6-4-3-5-7-9/h8H,3-7H2,1-2H3/b12-11+
InChIKeyFWRTUCFTQOGYKR-VAWYXSNFSA-N
MW195.27 g/mol
LogP3.82
Rot. Bonds3

About (1-azidocyclohexyl)-propan-2-yldiazene

(1-azidocyclohexyl)-propan-2-yldiazene (PubChem CID 21386991) has the molecular formula C9H17N5 and a molecular weight of 195.27 g/mol. Its IUPAC name is (1-azidocyclohexyl)-propan-2-yldiazene.

Molecular Properties

Compound Name(1-azidocyclohexyl)-propan-2-yldiazene
PubChem CID21386991
Molecular FormulaC9H17N5
Molecular Weight195.27 g/mol
Exact Mass195.15
IUPAC Name(1-azidocyclohexyl)-propan-2-yldiazene
SMILESCC(C)/N=N/C1(N=[N+]=[N-])CCCCC1
InChIInChI=1S/C9H17N5/c1-8(2)11-12-9(13-14-10)6-4-3-5-7-9/h8H,3-7H2,1-2H3/b12-11+
InChIKeyFWRTUCFTQOGYKR-VAWYXSNFSA-N
XLogP3.82
TPSA73.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1-azidocyclohexyl)-propan-2-yldiazene?
The IUPAC name of (1-azidocyclohexyl)-propan-2-yldiazene (CID 21386991) is (1-azidocyclohexyl)-propan-2-yldiazene.
What is the SMILES notation for (1-azidocyclohexyl)-propan-2-yldiazene?
The canonical SMILES for (1-azidocyclohexyl)-propan-2-yldiazene is CC(C)/N=N/C1(N=[N+]=[N-])CCCCC1.
What is the InChIKey of (1-azidocyclohexyl)-propan-2-yldiazene?
The InChIKey is FWRTUCFTQOGYKR-VAWYXSNFSA-N. The full InChI is InChI=1S/C9H17N5/c1-8(2)11-12-9(13-14-10)6-4-3-5-7-9/h8H,3-7H2,1-2H3/b12-11+.
What are the key properties of (1-azidocyclohexyl)-propan-2-yldiazene?
(1-azidocyclohexyl)-propan-2-yldiazene has a molecular weight of 195.27 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-azidocyclohexyl)-propan-2-yldiazene is sourced from PubChem (CID 21386991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).