(3-cyclooctyl-2-diazoniocycloocten-1-yl)iminoazanide

C16H26N4 — CID 56614194

IUPAC(3-cyclooctyl-2-diazoniocycloocten-1-yl)iminoazanide
SMILESN#[N+]C1=C(N=[N-])CCCCCC1C1CCCCCCC1
InChIInChI=1S/C16H26N4/c17-19-15-12-8-4-7-11-14(16(15)20-18)13-9-5-2-1-3-6-10-13/h13-14H,1-12H2
InChIKeyMAXMWZHPEUKFJE-UHFFFAOYSA-N
MW274.41 g/mol
LogP6.01
Rot. Bonds2

About (3-cyclooctyl-2-diazoniocycloocten-1-yl)iminoazanide

(3-cyclooctyl-2-diazoniocycloocten-1-yl)iminoazanide (PubChem CID 56614194) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is (3-cyclooctyl-2-diazoniocycloocten-1-yl)iminoazanide.

Molecular Properties

Compound Name(3-cyclooctyl-2-diazoniocycloocten-1-yl)iminoazanide
PubChem CID56614194
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC Name(3-cyclooctyl-2-diazoniocycloocten-1-yl)iminoazanide
SMILESN#[N+]C1=C(N=[N-])CCCCCC1C1CCCCCCC1
InChIInChI=1S/C16H26N4/c17-19-15-12-8-4-7-11-14(16(15)20-18)13-9-5-2-1-3-6-10-13/h13-14H,1-12H2
InChIKeyMAXMWZHPEUKFJE-UHFFFAOYSA-N
XLogP6.01
TPSA62.81 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.41
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-cyclooctyl-2-diazoniocycloocten-1-yl)iminoazanide?
The IUPAC name of (3-cyclooctyl-2-diazoniocycloocten-1-yl)iminoazanide (CID 56614194) is (3-cyclooctyl-2-diazoniocycloocten-1-yl)iminoazanide.
What is the SMILES notation for (3-cyclooctyl-2-diazoniocycloocten-1-yl)iminoazanide?
The canonical SMILES for (3-cyclooctyl-2-diazoniocycloocten-1-yl)iminoazanide is N#[N+]C1=C(N=[N-])CCCCCC1C1CCCCCCC1.
What is the InChIKey of (3-cyclooctyl-2-diazoniocycloocten-1-yl)iminoazanide?
The InChIKey is MAXMWZHPEUKFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c17-19-15-12-8-4-7-11-14(16(15)20-18)13-9-5-2-1-3-6-10-13/h13-14H,1-12H2.
What are the key properties of (3-cyclooctyl-2-diazoniocycloocten-1-yl)iminoazanide?
(3-cyclooctyl-2-diazoniocycloocten-1-yl)iminoazanide has a molecular weight of 274.41 g/mol, XLogP of 6.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclooctyl-2-diazoniocycloocten-1-yl)iminoazanide is sourced from PubChem (CID 56614194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).