2-(2H-tetrazol-5-yl)octan-2-amine

C9H19N5 — CID 61149602

IUPAC2-(2H-tetrazol-5-yl)octan-2-amine
SMILESCCCCCCC(C)(N)c1nn[nH]n1
InChIInChI=1S/C9H19N5/c1-3-4-5-6-7-9(2,10)8-11-13-14-12-8/h3-7,10H2,1-2H3,(H,11,12,13,14)
InChIKeySSLUXODHXRKJGJ-UHFFFAOYSA-N
MW197.29 g/mol
LogP1.34
Rot. Bonds6

About 2-(2H-tetrazol-5-yl)octan-2-amine

2-(2H-tetrazol-5-yl)octan-2-amine (PubChem CID 61149602) has the molecular formula C9H19N5 and a molecular weight of 197.29 g/mol. Its IUPAC name is 2-(2H-tetrazol-5-yl)octan-2-amine.

Molecular Properties

Compound Name2-(2H-tetrazol-5-yl)octan-2-amine
PubChem CID61149602
Molecular FormulaC9H19N5
Molecular Weight197.29 g/mol
Exact Mass197.16
IUPAC Name2-(2H-tetrazol-5-yl)octan-2-amine
SMILESCCCCCCC(C)(N)c1nn[nH]n1
InChIInChI=1S/C9H19N5/c1-3-4-5-6-7-9(2,10)8-11-13-14-12-8/h3-7,10H2,1-2H3,(H,11,12,13,14)
InChIKeySSLUXODHXRKJGJ-UHFFFAOYSA-N
XLogP1.34
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.29
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2H-tetrazol-5-yl)octan-2-amine?
The IUPAC name of 2-(2H-tetrazol-5-yl)octan-2-amine (CID 61149602) is 2-(2H-tetrazol-5-yl)octan-2-amine.
What is the SMILES notation for 2-(2H-tetrazol-5-yl)octan-2-amine?
The canonical SMILES for 2-(2H-tetrazol-5-yl)octan-2-amine is CCCCCCC(C)(N)c1nn[nH]n1.
What is the InChIKey of 2-(2H-tetrazol-5-yl)octan-2-amine?
The InChIKey is SSLUXODHXRKJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N5/c1-3-4-5-6-7-9(2,10)8-11-13-14-12-8/h3-7,10H2,1-2H3,(H,11,12,13,14).
What are the key properties of 2-(2H-tetrazol-5-yl)octan-2-amine?
2-(2H-tetrazol-5-yl)octan-2-amine has a molecular weight of 197.29 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-tetrazol-5-yl)octan-2-amine is sourced from PubChem (CID 61149602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).