2-(2-tert-butyltetrazol-5-yl)ethanamine

C7H15N5 — CID 167719397

IUPAC2-(2-tert-butyltetrazol-5-yl)ethanamine
SMILESCC(C)(C)n1nnc(CCN)n1
InChIInChI=1S/C7H15N5/c1-7(2,3)12-10-6(4-5-8)9-11-12/h4-5,8H2,1-3H3
InChIKeyIZCZGISXSXGRFG-UHFFFAOYSA-N
MW169.23 g/mol
LogP-0.07
Rot. Bonds2

About 2-(2-tert-butyltetrazol-5-yl)ethanamine

2-(2-tert-butyltetrazol-5-yl)ethanamine (PubChem CID 167719397) has the molecular formula C7H15N5 and a molecular weight of 169.23 g/mol. Its IUPAC name is 2-(2-tert-butyltetrazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(2-tert-butyltetrazol-5-yl)ethanamine
PubChem CID167719397
Molecular FormulaC7H15N5
Molecular Weight169.23 g/mol
Exact Mass169.13
IUPAC Name2-(2-tert-butyltetrazol-5-yl)ethanamine
SMILESCC(C)(C)n1nnc(CCN)n1
InChIInChI=1S/C7H15N5/c1-7(2,3)12-10-6(4-5-8)9-11-12/h4-5,8H2,1-3H3
InChIKeyIZCZGISXSXGRFG-UHFFFAOYSA-N
XLogP-0.07
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butyltetrazol-5-yl)ethanamine?
The IUPAC name of 2-(2-tert-butyltetrazol-5-yl)ethanamine (CID 167719397) is 2-(2-tert-butyltetrazol-5-yl)ethanamine.
What is the SMILES notation for 2-(2-tert-butyltetrazol-5-yl)ethanamine?
The canonical SMILES for 2-(2-tert-butyltetrazol-5-yl)ethanamine is CC(C)(C)n1nnc(CCN)n1.
What is the InChIKey of 2-(2-tert-butyltetrazol-5-yl)ethanamine?
The InChIKey is IZCZGISXSXGRFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N5/c1-7(2,3)12-10-6(4-5-8)9-11-12/h4-5,8H2,1-3H3.
What are the key properties of 2-(2-tert-butyltetrazol-5-yl)ethanamine?
2-(2-tert-butyltetrazol-5-yl)ethanamine has a molecular weight of 169.23 g/mol, XLogP of -0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butyltetrazol-5-yl)ethanamine is sourced from PubChem (CID 167719397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).