4-[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propan-2-yl]morpholine

C16H23N5O — CID 3965306

IUPAC4-[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propan-2-yl]morpholine
SMILESCc1cccc(C)c1-n1nnnc1C(C)(C)N1CCOCC1
InChIInChI=1S/C16H23N5O/c1-12-6-5-7-13(2)14(12)21-15(17-18-19-21)16(3,4)20-8-10-22-11-9-20/h5-7H,8-11H2,1-4H3
InChIKeyPCPOLQBVVMGXOO-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.85
Rot. Bonds3

About 4-[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propan-2-yl]morpholine

4-[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propan-2-yl]morpholine (PubChem CID 3965306) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is 4-[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propan-2-yl]morpholine.

Molecular Properties

Compound Name4-[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propan-2-yl]morpholine
PubChem CID3965306
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name4-[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propan-2-yl]morpholine
SMILESCc1cccc(C)c1-n1nnnc1C(C)(C)N1CCOCC1
InChIInChI=1S/C16H23N5O/c1-12-6-5-7-13(2)14(12)21-15(17-18-19-21)16(3,4)20-8-10-22-11-9-20/h5-7H,8-11H2,1-4H3
InChIKeyPCPOLQBVVMGXOO-UHFFFAOYSA-N
XLogP1.85
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propan-2-yl]morpholine?
The IUPAC name of 4-[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propan-2-yl]morpholine (CID 3965306) is 4-[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propan-2-yl]morpholine.
What is the SMILES notation for 4-[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propan-2-yl]morpholine?
The canonical SMILES for 4-[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propan-2-yl]morpholine is Cc1cccc(C)c1-n1nnnc1C(C)(C)N1CCOCC1.
What is the InChIKey of 4-[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propan-2-yl]morpholine?
The InChIKey is PCPOLQBVVMGXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c1-12-6-5-7-13(2)14(12)21-15(17-18-19-21)16(3,4)20-8-10-22-11-9-20/h5-7H,8-11H2,1-4H3.
What are the key properties of 4-[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propan-2-yl]morpholine?
4-[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propan-2-yl]morpholine has a molecular weight of 301.39 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propan-2-yl]morpholine is sourced from PubChem (CID 3965306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).