N-(2-methoxyethyl)-5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-amine

C11H19N3O — CID 63048679

IUPACN-(2-methoxyethyl)-5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-amine
SMILESCOCCNc1n[nH]c2c1CC(C)CC2
InChIInChI=1S/C11H19N3O/c1-8-3-4-10-9(7-8)11(14-13-10)12-5-6-15-2/h8H,3-7H2,1-2H3,(H2,12,13,14)
InChIKeyIDFWXBZJELIEPG-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.59
Rot. Bonds4

About N-(2-methoxyethyl)-5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-amine

N-(2-methoxyethyl)-5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-amine (PubChem CID 63048679) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is N-(2-methoxyethyl)-5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-amine
PubChem CID63048679
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC NameN-(2-methoxyethyl)-5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-amine
SMILESCOCCNc1n[nH]c2c1CC(C)CC2
InChIInChI=1S/C11H19N3O/c1-8-3-4-10-9(7-8)11(14-13-10)12-5-6-15-2/h8H,3-7H2,1-2H3,(H2,12,13,14)
InChIKeyIDFWXBZJELIEPG-UHFFFAOYSA-N
XLogP1.59
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-amine?
The IUPAC name of N-(2-methoxyethyl)-5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-amine (CID 63048679) is N-(2-methoxyethyl)-5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-amine.
What is the SMILES notation for N-(2-methoxyethyl)-5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-amine?
The canonical SMILES for N-(2-methoxyethyl)-5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-amine is COCCNc1n[nH]c2c1CC(C)CC2.
What is the InChIKey of N-(2-methoxyethyl)-5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-amine?
The InChIKey is IDFWXBZJELIEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-8-3-4-10-9(7-8)11(14-13-10)12-5-6-15-2/h8H,3-7H2,1-2H3,(H2,12,13,14).
What are the key properties of N-(2-methoxyethyl)-5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-amine?
N-(2-methoxyethyl)-5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-amine has a molecular weight of 209.29 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-amine is sourced from PubChem (CID 63048679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).