N-[2-methyl-5-(tetrazol-1-yl)phenyl]-1-azabicyclo[3.2.1]octan-4-amine

C15H20N6 — CID 105364049

IUPACN-[2-methyl-5-(tetrazol-1-yl)phenyl]-1-azabicyclo[3.2.1]octan-4-amine
SMILESCc1ccc(-n2cnnn2)cc1NC1CCN2CCC1C2
InChIInChI=1S/C15H20N6/c1-11-2-3-13(21-10-16-18-19-21)8-15(11)17-14-5-7-20-6-4-12(14)9-20/h2-3,8,10,12,14,17H,4-7,9H2,1H3
InChIKeyZBWKIDFBDAEGMF-UHFFFAOYSA-N
MW284.37 g/mol
LogP1.48
Rot. Bonds3

About N-[2-methyl-5-(tetrazol-1-yl)phenyl]-1-azabicyclo[3.2.1]octan-4-amine

N-[2-methyl-5-(tetrazol-1-yl)phenyl]-1-azabicyclo[3.2.1]octan-4-amine (PubChem CID 105364049) has the molecular formula C15H20N6 and a molecular weight of 284.37 g/mol. Its IUPAC name is N-[2-methyl-5-(tetrazol-1-yl)phenyl]-1-azabicyclo[3.2.1]octan-4-amine.

Molecular Properties

Compound NameN-[2-methyl-5-(tetrazol-1-yl)phenyl]-1-azabicyclo[3.2.1]octan-4-amine
PubChem CID105364049
Molecular FormulaC15H20N6
Molecular Weight284.37 g/mol
Exact Mass284.17
IUPAC NameN-[2-methyl-5-(tetrazol-1-yl)phenyl]-1-azabicyclo[3.2.1]octan-4-amine
SMILESCc1ccc(-n2cnnn2)cc1NC1CCN2CCC1C2
InChIInChI=1S/C15H20N6/c1-11-2-3-13(21-10-16-18-19-21)8-15(11)17-14-5-7-20-6-4-12(14)9-20/h2-3,8,10,12,14,17H,4-7,9H2,1H3
InChIKeyZBWKIDFBDAEGMF-UHFFFAOYSA-N
XLogP1.48
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.37
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-(tetrazol-1-yl)phenyl]-1-azabicyclo[3.2.1]octan-4-amine?
The IUPAC name of N-[2-methyl-5-(tetrazol-1-yl)phenyl]-1-azabicyclo[3.2.1]octan-4-amine (CID 105364049) is N-[2-methyl-5-(tetrazol-1-yl)phenyl]-1-azabicyclo[3.2.1]octan-4-amine.
What is the SMILES notation for N-[2-methyl-5-(tetrazol-1-yl)phenyl]-1-azabicyclo[3.2.1]octan-4-amine?
The canonical SMILES for N-[2-methyl-5-(tetrazol-1-yl)phenyl]-1-azabicyclo[3.2.1]octan-4-amine is Cc1ccc(-n2cnnn2)cc1NC1CCN2CCC1C2.
What is the InChIKey of N-[2-methyl-5-(tetrazol-1-yl)phenyl]-1-azabicyclo[3.2.1]octan-4-amine?
The InChIKey is ZBWKIDFBDAEGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6/c1-11-2-3-13(21-10-16-18-19-21)8-15(11)17-14-5-7-20-6-4-12(14)9-20/h2-3,8,10,12,14,17H,4-7,9H2,1H3.
What are the key properties of N-[2-methyl-5-(tetrazol-1-yl)phenyl]-1-azabicyclo[3.2.1]octan-4-amine?
N-[2-methyl-5-(tetrazol-1-yl)phenyl]-1-azabicyclo[3.2.1]octan-4-amine has a molecular weight of 284.37 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-(tetrazol-1-yl)phenyl]-1-azabicyclo[3.2.1]octan-4-amine is sourced from PubChem (CID 105364049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).