4-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-N,2,2-trimethyloxan-4-amine

C17H25N5O — CID 3295144

IUPAC4-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-N,2,2-trimethyloxan-4-amine
SMILESCNC1(c2nnnn2-c2c(C)cccc2C)CCOC(C)(C)C1
InChIInChI=1S/C17H25N5O/c1-12-7-6-8-13(2)14(12)22-15(19-20-21-22)17(18-5)9-10-23-16(3,4)11-17/h6-8,18H,9-11H2,1-5H3
InChIKeyQSCGGSJEIOJUPT-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.28
Rot. Bonds3

About 4-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-N,2,2-trimethyloxan-4-amine

4-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-N,2,2-trimethyloxan-4-amine (PubChem CID 3295144) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is 4-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-N,2,2-trimethyloxan-4-amine.

Molecular Properties

Compound Name4-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-N,2,2-trimethyloxan-4-amine
PubChem CID3295144
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name4-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-N,2,2-trimethyloxan-4-amine
SMILESCNC1(c2nnnn2-c2c(C)cccc2C)CCOC(C)(C)C1
InChIInChI=1S/C17H25N5O/c1-12-7-6-8-13(2)14(12)22-15(19-20-21-22)17(18-5)9-10-23-16(3,4)11-17/h6-8,18H,9-11H2,1-5H3
InChIKeyQSCGGSJEIOJUPT-UHFFFAOYSA-N
XLogP2.28
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-N,2,2-trimethyloxan-4-amine?
The IUPAC name of 4-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-N,2,2-trimethyloxan-4-amine (CID 3295144) is 4-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-N,2,2-trimethyloxan-4-amine.
What is the SMILES notation for 4-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-N,2,2-trimethyloxan-4-amine?
The canonical SMILES for 4-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-N,2,2-trimethyloxan-4-amine is CNC1(c2nnnn2-c2c(C)cccc2C)CCOC(C)(C)C1.
What is the InChIKey of 4-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-N,2,2-trimethyloxan-4-amine?
The InChIKey is QSCGGSJEIOJUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/c1-12-7-6-8-13(2)14(12)22-15(19-20-21-22)17(18-5)9-10-23-16(3,4)11-17/h6-8,18H,9-11H2,1-5H3.
What are the key properties of 4-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-N,2,2-trimethyloxan-4-amine?
4-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-N,2,2-trimethyloxan-4-amine has a molecular weight of 315.42 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-N,2,2-trimethyloxan-4-amine is sourced from PubChem (CID 3295144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).