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

C19H31N3 — CID 59514051

IUPACN-(2-ethylbutyl)-1-methyl-N-(3-methylbutyl)indazol-5-amine
SMILESCCC(CC)CN(CCC(C)C)c1ccc2c(cnn2C)c1
InChIInChI=1S/C19H31N3/c1-6-16(7-2)14-22(11-10-15(3)4)18-8-9-19-17(12-18)13-20-21(19)5/h8-9,12-13,15-16H,6-7,10-11,14H2,1-5H3
InChIKeyIPKPGJWRRVXRNI-UHFFFAOYSA-N
MW301.48 g/mol
LogP4.86
Rot. Bonds8

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

N-(2-ethylbutyl)-1-methyl-N-(3-methylbutyl)indazol-5-amine (PubChem CID 59514051) has the molecular formula C19H31N3 and a molecular weight of 301.48 g/mol. Its IUPAC name is N-(2-ethylbutyl)-1-methyl-N-(3-methylbutyl)indazol-5-amine.

Molecular Properties

Compound NameN-(2-ethylbutyl)-1-methyl-N-(3-methylbutyl)indazol-5-amine
PubChem CID59514051
Molecular FormulaC19H31N3
Molecular Weight301.48 g/mol
Exact Mass301.25
IUPAC NameN-(2-ethylbutyl)-1-methyl-N-(3-methylbutyl)indazol-5-amine
SMILESCCC(CC)CN(CCC(C)C)c1ccc2c(cnn2C)c1
InChIInChI=1S/C19H31N3/c1-6-16(7-2)14-22(11-10-15(3)4)18-8-9-19-17(12-18)13-20-21(19)5/h8-9,12-13,15-16H,6-7,10-11,14H2,1-5H3
InChIKeyIPKPGJWRRVXRNI-UHFFFAOYSA-N
XLogP4.86
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.48
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylbutyl)-1-methyl-N-(3-methylbutyl)indazol-5-amine?
The IUPAC name of N-(2-ethylbutyl)-1-methyl-N-(3-methylbutyl)indazol-5-amine (CID 59514051) is N-(2-ethylbutyl)-1-methyl-N-(3-methylbutyl)indazol-5-amine.
What is the SMILES notation for N-(2-ethylbutyl)-1-methyl-N-(3-methylbutyl)indazol-5-amine?
The canonical SMILES for N-(2-ethylbutyl)-1-methyl-N-(3-methylbutyl)indazol-5-amine is CCC(CC)CN(CCC(C)C)c1ccc2c(cnn2C)c1.
What is the InChIKey of N-(2-ethylbutyl)-1-methyl-N-(3-methylbutyl)indazol-5-amine?
The InChIKey is IPKPGJWRRVXRNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3/c1-6-16(7-2)14-22(11-10-15(3)4)18-8-9-19-17(12-18)13-20-21(19)5/h8-9,12-13,15-16H,6-7,10-11,14H2,1-5H3.
What are the key properties of N-(2-ethylbutyl)-1-methyl-N-(3-methylbutyl)indazol-5-amine?
N-(2-ethylbutyl)-1-methyl-N-(3-methylbutyl)indazol-5-amine has a molecular weight of 301.48 g/mol, XLogP of 4.86, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylbutyl)-1-methyl-N-(3-methylbutyl)indazol-5-amine is sourced from PubChem (CID 59514051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).