1-methyl-N-(3-methylbutyl)-N-(2-methylpropyl)indazol-5-amine

C17H27N3 — CID 59514114

IUPAC1-methyl-N-(3-methylbutyl)-N-(2-methylpropyl)indazol-5-amine
SMILESCC(C)CCN(CC(C)C)c1ccc2c(cnn2C)c1
InChIInChI=1S/C17H27N3/c1-13(2)8-9-20(12-14(3)4)16-6-7-17-15(10-16)11-18-19(17)5/h6-7,10-11,13-14H,8-9,12H2,1-5H3
InChIKeyDKYXAGWIXUEFHE-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.08
Rot. Bonds6

About 1-methyl-N-(3-methylbutyl)-N-(2-methylpropyl)indazol-5-amine

1-methyl-N-(3-methylbutyl)-N-(2-methylpropyl)indazol-5-amine (PubChem CID 59514114) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 1-methyl-N-(3-methylbutyl)-N-(2-methylpropyl)indazol-5-amine.

Molecular Properties

Compound Name1-methyl-N-(3-methylbutyl)-N-(2-methylpropyl)indazol-5-amine
PubChem CID59514114
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name1-methyl-N-(3-methylbutyl)-N-(2-methylpropyl)indazol-5-amine
SMILESCC(C)CCN(CC(C)C)c1ccc2c(cnn2C)c1
InChIInChI=1S/C17H27N3/c1-13(2)8-9-20(12-14(3)4)16-6-7-17-15(10-16)11-18-19(17)5/h6-7,10-11,13-14H,8-9,12H2,1-5H3
InChIKeyDKYXAGWIXUEFHE-UHFFFAOYSA-N
XLogP4.08
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(3-methylbutyl)-N-(2-methylpropyl)indazol-5-amine?
The IUPAC name of 1-methyl-N-(3-methylbutyl)-N-(2-methylpropyl)indazol-5-amine (CID 59514114) is 1-methyl-N-(3-methylbutyl)-N-(2-methylpropyl)indazol-5-amine.
What is the SMILES notation for 1-methyl-N-(3-methylbutyl)-N-(2-methylpropyl)indazol-5-amine?
The canonical SMILES for 1-methyl-N-(3-methylbutyl)-N-(2-methylpropyl)indazol-5-amine is CC(C)CCN(CC(C)C)c1ccc2c(cnn2C)c1.
What is the InChIKey of 1-methyl-N-(3-methylbutyl)-N-(2-methylpropyl)indazol-5-amine?
The InChIKey is DKYXAGWIXUEFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-13(2)8-9-20(12-14(3)4)16-6-7-17-15(10-16)11-18-19(17)5/h6-7,10-11,13-14H,8-9,12H2,1-5H3.
What are the key properties of 1-methyl-N-(3-methylbutyl)-N-(2-methylpropyl)indazol-5-amine?
1-methyl-N-(3-methylbutyl)-N-(2-methylpropyl)indazol-5-amine has a molecular weight of 273.42 g/mol, XLogP of 4.08, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(3-methylbutyl)-N-(2-methylpropyl)indazol-5-amine is sourced from PubChem (CID 59514114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).