2-[5-(2-phenylpropan-2-yl)tetrazol-1-yl]ethanamine

C12H17N5 — CID 63084683

IUPAC2-[5-(2-phenylpropan-2-yl)tetrazol-1-yl]ethanamine
SMILESCC(C)(c1ccccc1)c1nnnn1CCN
InChIInChI=1S/C12H17N5/c1-12(2,10-6-4-3-5-7-10)11-14-15-16-17(11)9-8-13/h3-7H,8-9,13H2,1-2H3
InChIKeyRBIYDKIOFNBFSV-UHFFFAOYSA-N
MW231.30 g/mol
LogP0.96
Rot. Bonds4

About 2-[5-(2-phenylpropan-2-yl)tetrazol-1-yl]ethanamine

2-[5-(2-phenylpropan-2-yl)tetrazol-1-yl]ethanamine (PubChem CID 63084683) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-[5-(2-phenylpropan-2-yl)tetrazol-1-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(2-phenylpropan-2-yl)tetrazol-1-yl]ethanamine
PubChem CID63084683
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name2-[5-(2-phenylpropan-2-yl)tetrazol-1-yl]ethanamine
SMILESCC(C)(c1ccccc1)c1nnnn1CCN
InChIInChI=1S/C12H17N5/c1-12(2,10-6-4-3-5-7-10)11-14-15-16-17(11)9-8-13/h3-7H,8-9,13H2,1-2H3
InChIKeyRBIYDKIOFNBFSV-UHFFFAOYSA-N
XLogP0.96
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-phenylpropan-2-yl)tetrazol-1-yl]ethanamine?
The IUPAC name of 2-[5-(2-phenylpropan-2-yl)tetrazol-1-yl]ethanamine (CID 63084683) is 2-[5-(2-phenylpropan-2-yl)tetrazol-1-yl]ethanamine.
What is the SMILES notation for 2-[5-(2-phenylpropan-2-yl)tetrazol-1-yl]ethanamine?
The canonical SMILES for 2-[5-(2-phenylpropan-2-yl)tetrazol-1-yl]ethanamine is CC(C)(c1ccccc1)c1nnnn1CCN.
What is the InChIKey of 2-[5-(2-phenylpropan-2-yl)tetrazol-1-yl]ethanamine?
The InChIKey is RBIYDKIOFNBFSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-12(2,10-6-4-3-5-7-10)11-14-15-16-17(11)9-8-13/h3-7H,8-9,13H2,1-2H3.
What are the key properties of 2-[5-(2-phenylpropan-2-yl)tetrazol-1-yl]ethanamine?
2-[5-(2-phenylpropan-2-yl)tetrazol-1-yl]ethanamine has a molecular weight of 231.30 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-phenylpropan-2-yl)tetrazol-1-yl]ethanamine is sourced from PubChem (CID 63084683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).