1-(1-methyl-3-propan-2-ylindazol-4-yl)ethanamine

C13H19N3 — CID 105471767

IUPAC1-(1-methyl-3-propan-2-ylindazol-4-yl)ethanamine
SMILESCC(C)c1nn(C)c2cccc(C(C)N)c12
InChIInChI=1S/C13H19N3/c1-8(2)13-12-10(9(3)14)6-5-7-11(12)16(4)15-13/h5-9H,14H2,1-4H3
InChIKeyQESNIBAFZLCGOJ-UHFFFAOYSA-N
MW217.32 g/mol
LogP2.72
Rot. Bonds2

About 1-(1-methyl-3-propan-2-ylindazol-4-yl)ethanamine

1-(1-methyl-3-propan-2-ylindazol-4-yl)ethanamine (PubChem CID 105471767) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 1-(1-methyl-3-propan-2-ylindazol-4-yl)ethanamine.

Molecular Properties

Compound Name1-(1-methyl-3-propan-2-ylindazol-4-yl)ethanamine
PubChem CID105471767
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name1-(1-methyl-3-propan-2-ylindazol-4-yl)ethanamine
SMILESCC(C)c1nn(C)c2cccc(C(C)N)c12
InChIInChI=1S/C13H19N3/c1-8(2)13-12-10(9(3)14)6-5-7-11(12)16(4)15-13/h5-9H,14H2,1-4H3
InChIKeyQESNIBAFZLCGOJ-UHFFFAOYSA-N
XLogP2.72
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-3-propan-2-ylindazol-4-yl)ethanamine?
The IUPAC name of 1-(1-methyl-3-propan-2-ylindazol-4-yl)ethanamine (CID 105471767) is 1-(1-methyl-3-propan-2-ylindazol-4-yl)ethanamine.
What is the SMILES notation for 1-(1-methyl-3-propan-2-ylindazol-4-yl)ethanamine?
The canonical SMILES for 1-(1-methyl-3-propan-2-ylindazol-4-yl)ethanamine is CC(C)c1nn(C)c2cccc(C(C)N)c12.
What is the InChIKey of 1-(1-methyl-3-propan-2-ylindazol-4-yl)ethanamine?
The InChIKey is QESNIBAFZLCGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-8(2)13-12-10(9(3)14)6-5-7-11(12)16(4)15-13/h5-9H,14H2,1-4H3.
What are the key properties of 1-(1-methyl-3-propan-2-ylindazol-4-yl)ethanamine?
1-(1-methyl-3-propan-2-ylindazol-4-yl)ethanamine has a molecular weight of 217.32 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-3-propan-2-ylindazol-4-yl)ethanamine is sourced from PubChem (CID 105471767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).