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

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

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

Launch Full Analysis

Related Compounds

N-(3,4-dimethylcyclohexyl)-2-methyl-5-(tetrazol-1-yl)aniline
CID 64732994
N-[4-(tetrazol-1-yl)phenyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 43121645
3-N-[2-methyl-5-(tetrazol-1-yl)phenyl]cyclopentane-1,3-diamine
CID 79461547
N-[2-methyl-5-(tetrazol-1-yl)phenyl]cyclopentanecarboxamide
CID 47047444
2-methyl-N-(oxan-4-ylmethyl)-5-(tetrazol-1-yl)aniline
CID 62384673
2-methyl-N-[(1-methylpiperidin-2-yl)methyl]-5-(tetrazol-1-yl)aniline
CID 62654359
N-benzyl-2-methyl-5-(tetrazol-1-yl)aniline
CID 43700273
4-[(1R,2R)-2-hydroxycyclohexyl]-N-[2-methyl-5-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide
CID 133129447
2-methyl-N-(2-methylpentyl)-5-(tetrazol-1-yl)aniline
CID 43700067
N-heptan-3-yl-2-methyl-5-(tetrazol-1-yl)aniline
CID 63946708
N-(2,5-dimethylcyclohexyl)-2-fluoro-5-(tetrazol-1-yl)aniline
CID 64762871
4-fluoro-5-methoxy-N-[2-methyl-5-(tetrazol-1-yl)phenyl]-2,3-dihydro-1H-inden-1-amine
CID 131961730

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).