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

C15H21N5O — CID 79912143

IUPAC2,2,5,5-tetramethyl-N-[3-(2H-tetrazol-5-yl)phenyl]oxolan-3-amine
SMILESCC1(C)CC(Nc2cccc(-c3nn[nH]n3)c2)C(C)(C)O1
InChIInChI=1S/C15H21N5O/c1-14(2)9-12(15(3,4)21-14)16-11-7-5-6-10(8-11)13-17-19-20-18-13/h5-8,12,16H,9H2,1-4H3,(H,17,18,19,20)
InChIKeyKEIJBUCKYKWRDN-UHFFFAOYSA-N
MW287.37 g/mol
LogP2.62
Rot. Bonds3

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

2,2,5,5-tetramethyl-N-[3-(2H-tetrazol-5-yl)phenyl]oxolan-3-amine (PubChem CID 79912143) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 2,2,5,5-tetramethyl-N-[3-(2H-tetrazol-5-yl)phenyl]oxolan-3-amine.

Molecular Properties

Compound Name2,2,5,5-tetramethyl-N-[3-(2H-tetrazol-5-yl)phenyl]oxolan-3-amine
PubChem CID79912143
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name2,2,5,5-tetramethyl-N-[3-(2H-tetrazol-5-yl)phenyl]oxolan-3-amine
SMILESCC1(C)CC(Nc2cccc(-c3nn[nH]n3)c2)C(C)(C)O1
InChIInChI=1S/C15H21N5O/c1-14(2)9-12(15(3,4)21-14)16-11-7-5-6-10(8-11)13-17-19-20-18-13/h5-8,12,16H,9H2,1-4H3,(H,17,18,19,20)
InChIKeyKEIJBUCKYKWRDN-UHFFFAOYSA-N
XLogP2.62
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2,2,5,5-tetramethyl-N-[3-(2H-tetrazol-5-yl)phenyl]oxolan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2,5,5-tetramethyl-N-[3-(2H-tetrazol-5-yl)phenyl]oxolan-3-amine?
The IUPAC name of 2,2,5,5-tetramethyl-N-[3-(2H-tetrazol-5-yl)phenyl]oxolan-3-amine (CID 79912143) is 2,2,5,5-tetramethyl-N-[3-(2H-tetrazol-5-yl)phenyl]oxolan-3-amine.
What is the SMILES notation for 2,2,5,5-tetramethyl-N-[3-(2H-tetrazol-5-yl)phenyl]oxolan-3-amine?
The canonical SMILES for 2,2,5,5-tetramethyl-N-[3-(2H-tetrazol-5-yl)phenyl]oxolan-3-amine is CC1(C)CC(Nc2cccc(-c3nn[nH]n3)c2)C(C)(C)O1.
What is the InChIKey of 2,2,5,5-tetramethyl-N-[3-(2H-tetrazol-5-yl)phenyl]oxolan-3-amine?
The InChIKey is KEIJBUCKYKWRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-14(2)9-12(15(3,4)21-14)16-11-7-5-6-10(8-11)13-17-19-20-18-13/h5-8,12,16H,9H2,1-4H3,(H,17,18,19,20).
What are the key properties of 2,2,5,5-tetramethyl-N-[3-(2H-tetrazol-5-yl)phenyl]oxolan-3-amine?
2,2,5,5-tetramethyl-N-[3-(2H-tetrazol-5-yl)phenyl]oxolan-3-amine has a molecular weight of 287.37 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,5-tetramethyl-N-[3-(2H-tetrazol-5-yl)phenyl]oxolan-3-amine is sourced from PubChem (CID 79912143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).