(1-azidocyclohexyl)benzene

C12H15N3 — CID 2769487

IUPAC(1-azidocyclohexyl)benzene
SMILES[N-]=[N+]=NC1(c2ccccc2)CCCCC1
InChIInChI=1S/C12H15N3/c13-15-14-12(9-5-2-6-10-12)11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2
InChIKeyURDOPVIVMKFFHV-UHFFFAOYSA-N
MW201.27 g/mol
LogP4.16
Rot. Bonds2

About (1-azidocyclohexyl)benzene

(1-azidocyclohexyl)benzene (PubChem CID 2769487) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is (1-azidocyclohexyl)benzene.

Molecular Properties

Compound Name(1-azidocyclohexyl)benzene
PubChem CID2769487
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name(1-azidocyclohexyl)benzene
SMILES[N-]=[N+]=NC1(c2ccccc2)CCCCC1
InChIInChI=1S/C12H15N3/c13-15-14-12(9-5-2-6-10-12)11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2
InChIKeyURDOPVIVMKFFHV-UHFFFAOYSA-N
XLogP4.16
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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)benzene?
The IUPAC name of (1-azidocyclohexyl)benzene (CID 2769487) is (1-azidocyclohexyl)benzene.
What is the SMILES notation for (1-azidocyclohexyl)benzene?
The canonical SMILES for (1-azidocyclohexyl)benzene is [N-]=[N+]=NC1(c2ccccc2)CCCCC1.
What is the InChIKey of (1-azidocyclohexyl)benzene?
The InChIKey is URDOPVIVMKFFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c13-15-14-12(9-5-2-6-10-12)11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2.
What are the key properties of (1-azidocyclohexyl)benzene?
(1-azidocyclohexyl)benzene has a molecular weight of 201.27 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-azidocyclohexyl)benzene is sourced from PubChem (CID 2769487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).