2-(2-tert-butyltetrazol-5-yl)-N,N-dimethylethanamine

C9H19N5 — CID 695344

IUPAC2-(2-tert-butyltetrazol-5-yl)-N,N-dimethylethanamine
SMILESCN(C)CCc1nnn(C(C)(C)C)n1
InChIInChI=1S/C9H19N5/c1-9(2,3)14-11-8(10-12-14)6-7-13(4)5/h6-7H2,1-5H3
InChIKeyOAXVWGGVERWZLJ-UHFFFAOYSA-N
MW197.29 g/mol
LogP0.53
Rot. Bonds3

About 2-(2-tert-butyltetrazol-5-yl)-N,N-dimethylethanamine

2-(2-tert-butyltetrazol-5-yl)-N,N-dimethylethanamine (PubChem CID 695344) has the molecular formula C9H19N5 and a molecular weight of 197.29 g/mol. Its IUPAC name is 2-(2-tert-butyltetrazol-5-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(2-tert-butyltetrazol-5-yl)-N,N-dimethylethanamine
PubChem CID695344
Molecular FormulaC9H19N5
Molecular Weight197.29 g/mol
Exact Mass197.16
IUPAC Name2-(2-tert-butyltetrazol-5-yl)-N,N-dimethylethanamine
SMILESCN(C)CCc1nnn(C(C)(C)C)n1
InChIInChI=1S/C9H19N5/c1-9(2,3)14-11-8(10-12-14)6-7-13(4)5/h6-7H2,1-5H3
InChIKeyOAXVWGGVERWZLJ-UHFFFAOYSA-N
XLogP0.53
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.29
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butyltetrazol-5-yl)-N,N-dimethylethanamine?
The IUPAC name of 2-(2-tert-butyltetrazol-5-yl)-N,N-dimethylethanamine (CID 695344) is 2-(2-tert-butyltetrazol-5-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(2-tert-butyltetrazol-5-yl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(2-tert-butyltetrazol-5-yl)-N,N-dimethylethanamine is CN(C)CCc1nnn(C(C)(C)C)n1.
What is the InChIKey of 2-(2-tert-butyltetrazol-5-yl)-N,N-dimethylethanamine?
The InChIKey is OAXVWGGVERWZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N5/c1-9(2,3)14-11-8(10-12-14)6-7-13(4)5/h6-7H2,1-5H3.
What are the key properties of 2-(2-tert-butyltetrazol-5-yl)-N,N-dimethylethanamine?
2-(2-tert-butyltetrazol-5-yl)-N,N-dimethylethanamine has a molecular weight of 197.29 g/mol, XLogP of 0.53, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butyltetrazol-5-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 695344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).