8-methyl-N-[3-(tetrazol-1-yl)phenyl]-8-azabicyclo[3.2.1]octan-3-amine

C15H20N6 — CID 43683977

IUPAC8-methyl-N-[3-(tetrazol-1-yl)phenyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESCN1C2CCC1CC(Nc1cccc(-n3cnnn3)c1)C2
InChIInChI=1S/C15H20N6/c1-20-13-5-6-14(20)9-12(8-13)17-11-3-2-4-15(7-11)21-10-16-18-19-21/h2-4,7,10,12-14,17H,5-6,8-9H2,1H3
InChIKeyXNMRAOCDMSYEAH-UHFFFAOYSA-N
MW284.37 g/mol
LogP1.70
Rot. Bonds3

About 8-methyl-N-[3-(tetrazol-1-yl)phenyl]-8-azabicyclo[3.2.1]octan-3-amine

8-methyl-N-[3-(tetrazol-1-yl)phenyl]-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 43683977) has the molecular formula C15H20N6 and a molecular weight of 284.37 g/mol. Its IUPAC name is 8-methyl-N-[3-(tetrazol-1-yl)phenyl]-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-methyl-N-[3-(tetrazol-1-yl)phenyl]-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID43683977
Molecular FormulaC15H20N6
Molecular Weight284.37 g/mol
Exact Mass284.17
IUPAC Name8-methyl-N-[3-(tetrazol-1-yl)phenyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESCN1C2CCC1CC(Nc1cccc(-n3cnnn3)c1)C2
InChIInChI=1S/C15H20N6/c1-20-13-5-6-14(20)9-12(8-13)17-11-3-2-4-15(7-11)21-10-16-18-19-21/h2-4,7,10,12-14,17H,5-6,8-9H2,1H3
InChIKeyXNMRAOCDMSYEAH-UHFFFAOYSA-N
XLogP1.70
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 ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 8-methyl-N-[3-(tetrazol-1-yl)phenyl]-8-azabicyclo[3.2.1]octan-3-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-(tetrazol-1-yl)phenyl]oxan-4-amine
CID 43683923
N-[3-(tetrazol-1-yl)phenyl]thian-3-amine
CID 55129735
N-(3-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 43131809
8-methyl-N-(3-propan-2-ylphenyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 43131742
N-(1-cyclopropylpropyl)-3-(tetrazol-1-yl)aniline
CID 64920522
8-methyl-N-phenyl-8-azabicyclo[3.2.1]octan-3-amine
CID 18363250
N-[(1-methylpiperidin-4-yl)methyl]-3-(tetrazol-1-yl)aniline
CID 62656159
3-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzene-1,3-diamine
CID 65471399
N-(4-methylpentan-2-yl)-3-(tetrazol-1-yl)aniline
CID 43683982
1-cyclopentyl-3-[3-(tetrazol-1-yl)phenyl]urea
CID 47199011
8-methyl-N-[3-(trifluoromethoxy)phenyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 43131680
N-(3-methoxycyclobutyl)-4-(tetrazol-1-yl)aniline
CID 104869019

Frequently Asked Questions

What is the IUPAC name of 8-methyl-N-[3-(tetrazol-1-yl)phenyl]-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-methyl-N-[3-(tetrazol-1-yl)phenyl]-8-azabicyclo[3.2.1]octan-3-amine (CID 43683977) is 8-methyl-N-[3-(tetrazol-1-yl)phenyl]-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-methyl-N-[3-(tetrazol-1-yl)phenyl]-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-methyl-N-[3-(tetrazol-1-yl)phenyl]-8-azabicyclo[3.2.1]octan-3-amine is CN1C2CCC1CC(Nc1cccc(-n3cnnn3)c1)C2.
What is the InChIKey of 8-methyl-N-[3-(tetrazol-1-yl)phenyl]-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is XNMRAOCDMSYEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6/c1-20-13-5-6-14(20)9-12(8-13)17-11-3-2-4-15(7-11)21-10-16-18-19-21/h2-4,7,10,12-14,17H,5-6,8-9H2,1H3.
What are the key properties of 8-methyl-N-[3-(tetrazol-1-yl)phenyl]-8-azabicyclo[3.2.1]octan-3-amine?
8-methyl-N-[3-(tetrazol-1-yl)phenyl]-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 284.37 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-N-[3-(tetrazol-1-yl)phenyl]-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 43683977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).