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

C9H17N5 — CID 61150852

IUPAC1-(2H-tetrazol-5-yl)cyclooctan-1-amine
SMILESNC1(c2nn[nH]n2)CCCCCCC1
InChIInChI=1S/C9H17N5/c10-9(8-11-13-14-12-8)6-4-2-1-3-5-7-9/h1-7,10H2,(H,11,12,13,14)
InChIKeyDJZVTEYUKJNJBV-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.10
Rot. Bonds1

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

1-(2H-tetrazol-5-yl)cyclooctan-1-amine (PubChem CID 61150852) has the molecular formula C9H17N5 and a molecular weight of 195.27 g/mol. Its IUPAC name is 1-(2H-tetrazol-5-yl)cyclooctan-1-amine.

Molecular Properties

Compound Name1-(2H-tetrazol-5-yl)cyclooctan-1-amine
PubChem CID61150852
Molecular FormulaC9H17N5
Molecular Weight195.27 g/mol
Exact Mass195.15
IUPAC Name1-(2H-tetrazol-5-yl)cyclooctan-1-amine
SMILESNC1(c2nn[nH]n2)CCCCCCC1
InChIInChI=1S/C9H17N5/c10-9(8-11-13-14-12-8)6-4-2-1-3-5-7-9/h1-7,10H2,(H,11,12,13,14)
InChIKeyDJZVTEYUKJNJBV-UHFFFAOYSA-N
XLogP1.10
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 ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2H-tetrazol-5-yl)cyclooctan-1-amine?
The IUPAC name of 1-(2H-tetrazol-5-yl)cyclooctan-1-amine (CID 61150852) is 1-(2H-tetrazol-5-yl)cyclooctan-1-amine.
What is the SMILES notation for 1-(2H-tetrazol-5-yl)cyclooctan-1-amine?
The canonical SMILES for 1-(2H-tetrazol-5-yl)cyclooctan-1-amine is NC1(c2nn[nH]n2)CCCCCCC1.
What is the InChIKey of 1-(2H-tetrazol-5-yl)cyclooctan-1-amine?
The InChIKey is DJZVTEYUKJNJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5/c10-9(8-11-13-14-12-8)6-4-2-1-3-5-7-9/h1-7,10H2,(H,11,12,13,14).
What are the key properties of 1-(2H-tetrazol-5-yl)cyclooctan-1-amine?
1-(2H-tetrazol-5-yl)cyclooctan-1-amine has a molecular weight of 195.27 g/mol, XLogP of 1.10, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2H-tetrazol-5-yl)cyclooctan-1-amine is sourced from PubChem (CID 61150852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).