5-(2H-tetrazol-5-yl)cyclooctan-1-amine

C9H17N5 — CID 149484010

IUPAC5-(2H-tetrazol-5-yl)cyclooctan-1-amine
SMILESNC1CCCC(c2nn[nH]n2)CCC1
InChIInChI=1S/C9H17N5/c10-8-5-1-3-7(4-2-6-8)9-11-13-14-12-9/h7-8H,1-6,10H2,(H,11,12,13,14)
InChIKeyGLDJHSMFAJIUFM-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.96
Rot. Bonds1

About 5-(2H-tetrazol-5-yl)cyclooctan-1-amine

5-(2H-tetrazol-5-yl)cyclooctan-1-amine (PubChem CID 149484010) has the molecular formula C9H17N5 and a molecular weight of 195.27 g/mol. Its IUPAC name is 5-(2H-tetrazol-5-yl)cyclooctan-1-amine.

Molecular Properties

Compound Name5-(2H-tetrazol-5-yl)cyclooctan-1-amine
PubChem CID149484010
Molecular FormulaC9H17N5
Molecular Weight195.27 g/mol
Exact Mass195.15
IUPAC Name5-(2H-tetrazol-5-yl)cyclooctan-1-amine
SMILESNC1CCCC(c2nn[nH]n2)CCC1
InChIInChI=1S/C9H17N5/c10-8-5-1-3-7(4-2-6-8)9-11-13-14-12-9/h7-8H,1-6,10H2,(H,11,12,13,14)
InChIKeyGLDJHSMFAJIUFM-UHFFFAOYSA-N
XLogP0.96
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2H-tetrazol-5-yl)cyclooctan-1-amine?
The IUPAC name of 5-(2H-tetrazol-5-yl)cyclooctan-1-amine (CID 149484010) is 5-(2H-tetrazol-5-yl)cyclooctan-1-amine.
What is the SMILES notation for 5-(2H-tetrazol-5-yl)cyclooctan-1-amine?
The canonical SMILES for 5-(2H-tetrazol-5-yl)cyclooctan-1-amine is NC1CCCC(c2nn[nH]n2)CCC1.
What is the InChIKey of 5-(2H-tetrazol-5-yl)cyclooctan-1-amine?
The InChIKey is GLDJHSMFAJIUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5/c10-8-5-1-3-7(4-2-6-8)9-11-13-14-12-9/h7-8H,1-6,10H2,(H,11,12,13,14).
What are the key properties of 5-(2H-tetrazol-5-yl)cyclooctan-1-amine?
5-(2H-tetrazol-5-yl)cyclooctan-1-amine has a molecular weight of 195.27 g/mol, XLogP of 0.96, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2H-tetrazol-5-yl)cyclooctan-1-amine is sourced from PubChem (CID 149484010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).