2,2,5,5-tetramethyl-N-[2-(tetrazol-1-yl)phenyl]oxolan-3-amine

C15H21N5O — CID 79911434

IUPAC2,2,5,5-tetramethyl-N-[2-(tetrazol-1-yl)phenyl]oxolan-3-amine
SMILESCC1(C)CC(Nc2ccccc2-n2cnnn2)C(C)(C)O1
InChIInChI=1S/C15H21N5O/c1-14(2)9-13(15(3,4)21-14)17-11-7-5-6-8-12(11)20-10-16-18-19-20/h5-8,10,13,17H,9H2,1-4H3
InChIKeyJRNVDJYFVULZOP-UHFFFAOYSA-N
MW287.37 g/mol
LogP2.42
Rot. Bonds3

About 2,2,5,5-tetramethyl-N-[2-(tetrazol-1-yl)phenyl]oxolan-3-amine

2,2,5,5-tetramethyl-N-[2-(tetrazol-1-yl)phenyl]oxolan-3-amine (PubChem CID 79911434) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 2,2,5,5-tetramethyl-N-[2-(tetrazol-1-yl)phenyl]oxolan-3-amine.

Molecular Properties

Compound Name2,2,5,5-tetramethyl-N-[2-(tetrazol-1-yl)phenyl]oxolan-3-amine
PubChem CID79911434
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name2,2,5,5-tetramethyl-N-[2-(tetrazol-1-yl)phenyl]oxolan-3-amine
SMILESCC1(C)CC(Nc2ccccc2-n2cnnn2)C(C)(C)O1
InChIInChI=1S/C15H21N5O/c1-14(2)9-13(15(3,4)21-14)17-11-7-5-6-8-12(11)20-10-16-18-19-20/h5-8,10,13,17H,9H2,1-4H3
InChIKeyJRNVDJYFVULZOP-UHFFFAOYSA-N
XLogP2.42
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,2,5,5-tetramethyl-N-[2-(tetrazol-1-yl)phenyl]oxolan-3-amine?
The IUPAC name of 2,2,5,5-tetramethyl-N-[2-(tetrazol-1-yl)phenyl]oxolan-3-amine (CID 79911434) is 2,2,5,5-tetramethyl-N-[2-(tetrazol-1-yl)phenyl]oxolan-3-amine.
What is the SMILES notation for 2,2,5,5-tetramethyl-N-[2-(tetrazol-1-yl)phenyl]oxolan-3-amine?
The canonical SMILES for 2,2,5,5-tetramethyl-N-[2-(tetrazol-1-yl)phenyl]oxolan-3-amine is CC1(C)CC(Nc2ccccc2-n2cnnn2)C(C)(C)O1.
What is the InChIKey of 2,2,5,5-tetramethyl-N-[2-(tetrazol-1-yl)phenyl]oxolan-3-amine?
The InChIKey is JRNVDJYFVULZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-14(2)9-13(15(3,4)21-14)17-11-7-5-6-8-12(11)20-10-16-18-19-20/h5-8,10,13,17H,9H2,1-4H3.
What are the key properties of 2,2,5,5-tetramethyl-N-[2-(tetrazol-1-yl)phenyl]oxolan-3-amine?
2,2,5,5-tetramethyl-N-[2-(tetrazol-1-yl)phenyl]oxolan-3-amine has a molecular weight of 287.37 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,5-tetramethyl-N-[2-(tetrazol-1-yl)phenyl]oxolan-3-amine is sourced from PubChem (CID 79911434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).