N-methyl-2-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)ethanamine

C11H19N3 — CID 84665096

IUPACN-methyl-2-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)ethanamine
SMILESCNCCc1nn(C)c2c1CCCC2
InChIInChI=1S/C11H19N3/c1-12-8-7-10-9-5-3-4-6-11(9)14(2)13-10/h12H,3-8H2,1-2H3
InChIKeyUWAVJJQAUVKARE-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.06
Rot. Bonds3

About N-methyl-2-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)ethanamine

N-methyl-2-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)ethanamine (PubChem CID 84665096) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is N-methyl-2-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)ethanamine
PubChem CID84665096
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC NameN-methyl-2-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)ethanamine
SMILESCNCCc1nn(C)c2c1CCCC2
InChIInChI=1S/C11H19N3/c1-12-8-7-10-9-5-3-4-6-11(9)14(2)13-10/h12H,3-8H2,1-2H3
InChIKeyUWAVJJQAUVKARE-UHFFFAOYSA-N
XLogP1.06
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)ethanamine?
The IUPAC name of N-methyl-2-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)ethanamine (CID 84665096) is N-methyl-2-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)ethanamine.
What is the SMILES notation for N-methyl-2-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)ethanamine?
The canonical SMILES for N-methyl-2-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)ethanamine is CNCCc1nn(C)c2c1CCCC2.
What is the InChIKey of N-methyl-2-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)ethanamine?
The InChIKey is UWAVJJQAUVKARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-12-8-7-10-9-5-3-4-6-11(9)14(2)13-10/h12H,3-8H2,1-2H3.
What are the key properties of N-methyl-2-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)ethanamine?
N-methyl-2-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)ethanamine has a molecular weight of 193.29 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)ethanamine is sourced from PubChem (CID 84665096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).