2-[1-(2-ethyl-6-methylphenyl)tetrazol-5-yl]-N,N-dimethylpropan-2-amine

C15H23N5 — CID 3616863

IUPAC2-[1-(2-ethyl-6-methylphenyl)tetrazol-5-yl]-N,N-dimethylpropan-2-amine
SMILESCCc1cccc(C)c1-n1nnnc1C(C)(C)N(C)C
InChIInChI=1S/C15H23N5/c1-7-12-10-8-9-11(2)13(12)20-14(16-17-18-20)15(3,4)19(5)6/h8-10H,7H2,1-6H3
InChIKeyHXSUNIFMOOHZGA-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.33
Rot. Bonds4

About 2-[1-(2-ethyl-6-methylphenyl)tetrazol-5-yl]-N,N-dimethylpropan-2-amine

2-[1-(2-ethyl-6-methylphenyl)tetrazol-5-yl]-N,N-dimethylpropan-2-amine (PubChem CID 3616863) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-[1-(2-ethyl-6-methylphenyl)tetrazol-5-yl]-N,N-dimethylpropan-2-amine.

Molecular Properties

Compound Name2-[1-(2-ethyl-6-methylphenyl)tetrazol-5-yl]-N,N-dimethylpropan-2-amine
PubChem CID3616863
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC Name2-[1-(2-ethyl-6-methylphenyl)tetrazol-5-yl]-N,N-dimethylpropan-2-amine
SMILESCCc1cccc(C)c1-n1nnnc1C(C)(C)N(C)C
InChIInChI=1S/C15H23N5/c1-7-12-10-8-9-11(2)13(12)20-14(16-17-18-20)15(3,4)19(5)6/h8-10H,7H2,1-6H3
InChIKeyHXSUNIFMOOHZGA-UHFFFAOYSA-N
XLogP2.33
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-ethyl-6-methylphenyl)tetrazol-5-yl]-N,N-dimethylpropan-2-amine?
The IUPAC name of 2-[1-(2-ethyl-6-methylphenyl)tetrazol-5-yl]-N,N-dimethylpropan-2-amine (CID 3616863) is 2-[1-(2-ethyl-6-methylphenyl)tetrazol-5-yl]-N,N-dimethylpropan-2-amine.
What is the SMILES notation for 2-[1-(2-ethyl-6-methylphenyl)tetrazol-5-yl]-N,N-dimethylpropan-2-amine?
The canonical SMILES for 2-[1-(2-ethyl-6-methylphenyl)tetrazol-5-yl]-N,N-dimethylpropan-2-amine is CCc1cccc(C)c1-n1nnnc1C(C)(C)N(C)C.
What is the InChIKey of 2-[1-(2-ethyl-6-methylphenyl)tetrazol-5-yl]-N,N-dimethylpropan-2-amine?
The InChIKey is HXSUNIFMOOHZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5/c1-7-12-10-8-9-11(2)13(12)20-14(16-17-18-20)15(3,4)19(5)6/h8-10H,7H2,1-6H3.
What are the key properties of 2-[1-(2-ethyl-6-methylphenyl)tetrazol-5-yl]-N,N-dimethylpropan-2-amine?
2-[1-(2-ethyl-6-methylphenyl)tetrazol-5-yl]-N,N-dimethylpropan-2-amine has a molecular weight of 273.38 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-ethyl-6-methylphenyl)tetrazol-5-yl]-N,N-dimethylpropan-2-amine is sourced from PubChem (CID 3616863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).