2-(2-propan-2-ylindazol-5-yl)ethanamine

C12H17N3 — CID 84721669

IUPAC2-(2-propan-2-ylindazol-5-yl)ethanamine
SMILESCC(C)n1cc2cc(CCN)ccc2n1
InChIInChI=1S/C12H17N3/c1-9(2)15-8-11-7-10(5-6-13)3-4-12(11)14-15/h3-4,7-9H,5-6,13H2,1-2H3
InChIKeyWWRQQAPCWOIKLA-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.12
Rot. Bonds3

About 2-(2-propan-2-ylindazol-5-yl)ethanamine

2-(2-propan-2-ylindazol-5-yl)ethanamine (PubChem CID 84721669) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 2-(2-propan-2-ylindazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(2-propan-2-ylindazol-5-yl)ethanamine
PubChem CID84721669
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name2-(2-propan-2-ylindazol-5-yl)ethanamine
SMILESCC(C)n1cc2cc(CCN)ccc2n1
InChIInChI=1S/C12H17N3/c1-9(2)15-8-11-7-10(5-6-13)3-4-12(11)14-15/h3-4,7-9H,5-6,13H2,1-2H3
InChIKeyWWRQQAPCWOIKLA-UHFFFAOYSA-N
XLogP2.12
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-propan-2-ylindazol-5-yl)methanol
CID 90356269
2-propan-2-ylindazole-5-carbonitrile
CID 84718934
1-(2-propan-2-ylindazol-6-yl)propan-2-amine
CID 84724116
6-(2-methylpropyl)-2-propan-2-ylindazole
CID 155051024
6-chloro-2-propan-2-ylindazole
CID 84720409
2-[6-(2-aminoethyl)naphthalen-2-yl]ethanamine
CID 20633654
ethane;2-methylpropane;2-propan-2-ylindazole
CID 159582971
2,5-di(propan-2-yl)pyrazolo[4,3-b]pyridine
CID 177260557
2-(2-ethylbenzotriazol-5-yl)ethanamine
CID 84719598
2-(4-chloro-1-propan-2-ylpyrazol-3-yl)ethanamine
CID 83876858
ethyl 3-[3-methyl-4-[5-(2-propan-2-ylindazol-5-yl)-1,2,4-oxadiazol-3-yl]phenyl]propanoate
CID 90355971
2-[3-chloro-4-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine
CID 64773168

Frequently Asked Questions

What is the IUPAC name of 2-(2-propan-2-ylindazol-5-yl)ethanamine?
The IUPAC name of 2-(2-propan-2-ylindazol-5-yl)ethanamine (CID 84721669) is 2-(2-propan-2-ylindazol-5-yl)ethanamine.
What is the SMILES notation for 2-(2-propan-2-ylindazol-5-yl)ethanamine?
The canonical SMILES for 2-(2-propan-2-ylindazol-5-yl)ethanamine is CC(C)n1cc2cc(CCN)ccc2n1.
What is the InChIKey of 2-(2-propan-2-ylindazol-5-yl)ethanamine?
The InChIKey is WWRQQAPCWOIKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-9(2)15-8-11-7-10(5-6-13)3-4-12(11)14-15/h3-4,7-9H,5-6,13H2,1-2H3.
What are the key properties of 2-(2-propan-2-ylindazol-5-yl)ethanamine?
2-(2-propan-2-ylindazol-5-yl)ethanamine has a molecular weight of 203.29 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propan-2-ylindazol-5-yl)ethanamine is sourced from PubChem (CID 84721669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).