[5-(2H-tetrazol-5-yl)cyclooctyl]methanamine

C10H19N5 — CID 129120400

IUPAC[5-(2H-tetrazol-5-yl)cyclooctyl]methanamine
SMILESNCC1CCCC(c2nn[nH]n2)CCC1
InChIInChI=1S/C10H19N5/c11-7-8-3-1-5-9(6-2-4-8)10-12-14-15-13-10/h8-9H,1-7,11H2,(H,12,13,14,15)
InChIKeyQICAQMYUQSJDGE-UHFFFAOYSA-N
MW209.30 g/mol
LogP1.21
Rot. Bonds2

About [5-(2H-tetrazol-5-yl)cyclooctyl]methanamine

[5-(2H-tetrazol-5-yl)cyclooctyl]methanamine (PubChem CID 129120400) has the molecular formula C10H19N5 and a molecular weight of 209.30 g/mol. Its IUPAC name is [5-(2H-tetrazol-5-yl)cyclooctyl]methanamine.

Molecular Properties

Compound Name[5-(2H-tetrazol-5-yl)cyclooctyl]methanamine
PubChem CID129120400
Molecular FormulaC10H19N5
Molecular Weight209.30 g/mol
Exact Mass209.16
IUPAC Name[5-(2H-tetrazol-5-yl)cyclooctyl]methanamine
SMILESNCC1CCCC(c2nn[nH]n2)CCC1
InChIInChI=1S/C10H19N5/c11-7-8-3-1-5-9(6-2-4-8)10-12-14-15-13-10/h8-9H,1-7,11H2,(H,12,13,14,15)
InChIKeyQICAQMYUQSJDGE-UHFFFAOYSA-N
XLogP1.21
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.30
LogP ≤ 51.21
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)cyclooctyl]methanamine?
The IUPAC name of [5-(2H-tetrazol-5-yl)cyclooctyl]methanamine (CID 129120400) is [5-(2H-tetrazol-5-yl)cyclooctyl]methanamine.
What is the SMILES notation for [5-(2H-tetrazol-5-yl)cyclooctyl]methanamine?
The canonical SMILES for [5-(2H-tetrazol-5-yl)cyclooctyl]methanamine is NCC1CCCC(c2nn[nH]n2)CCC1.
What is the InChIKey of [5-(2H-tetrazol-5-yl)cyclooctyl]methanamine?
The InChIKey is QICAQMYUQSJDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5/c11-7-8-3-1-5-9(6-2-4-8)10-12-14-15-13-10/h8-9H,1-7,11H2,(H,12,13,14,15).
What are the key properties of [5-(2H-tetrazol-5-yl)cyclooctyl]methanamine?
[5-(2H-tetrazol-5-yl)cyclooctyl]methanamine has a molecular weight of 209.30 g/mol, XLogP of 1.21, 2 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)cyclooctyl]methanamine is sourced from PubChem (CID 129120400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).