N-methyl-1-(2-propan-2-ylindazol-5-yl)ethanamine

C13H19N3 — CID 84724099

IUPACN-methyl-1-(2-propan-2-ylindazol-5-yl)ethanamine
SMILESCNC(C)c1ccc2nn(C(C)C)cc2c1
InChIInChI=1S/C13H19N3/c1-9(2)16-8-12-7-11(10(3)14-4)5-6-13(12)15-16/h5-10,14H,1-4H3
InChIKeyAUCMPQVEMRKQSC-UHFFFAOYSA-N
MW217.32 g/mol
LogP2.90
Rot. Bonds3

About N-methyl-1-(2-propan-2-ylindazol-5-yl)ethanamine

N-methyl-1-(2-propan-2-ylindazol-5-yl)ethanamine (PubChem CID 84724099) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is N-methyl-1-(2-propan-2-ylindazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-1-(2-propan-2-ylindazol-5-yl)ethanamine
PubChem CID84724099
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC NameN-methyl-1-(2-propan-2-ylindazol-5-yl)ethanamine
SMILESCNC(C)c1ccc2nn(C(C)C)cc2c1
InChIInChI=1S/C13H19N3/c1-9(2)16-8-12-7-11(10(3)14-4)5-6-13(12)15-16/h5-10,14H,1-4H3
InChIKeyAUCMPQVEMRKQSC-UHFFFAOYSA-N
XLogP2.90
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-propan-2-ylindazol-5-ol
CID 84717775
2-propan-2-ylindazole-5-carbonitrile
CID 84718934
(2-propan-2-ylindazol-5-yl)methanol
CID 90356269
2-(2-propan-2-ylindazol-5-yl)ethanamine
CID 84721669
1-(2,4-dimethylquinolin-6-yl)-N-methylethanamine
CID 105468040
ethane;2-methylpropane;2-propan-2-ylindazole
CID 159582971
N-methyl-1-(1-propan-2-ylindazol-6-yl)ethanamine
CID 84724165
1-(2,4-dimethylquinolin-7-yl)-N-methylethanamine
CID 105468041
6-chloro-2-propan-2-ylindazole
CID 84720409
2,5-di(propan-2-yl)pyrazolo[4,3-b]pyridine
CID 177260557
2-oxo-2-[4-(2-propan-2-ylindazol-5-yl)phenyl]acetamide
CID 144811408
1-[(1S)-2-hydroxy-1-phenylethyl]-3-(2-propan-2-ylindazol-5-yl)urea
CID 111578697

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-propan-2-ylindazol-5-yl)ethanamine?
The IUPAC name of N-methyl-1-(2-propan-2-ylindazol-5-yl)ethanamine (CID 84724099) is N-methyl-1-(2-propan-2-ylindazol-5-yl)ethanamine.
What is the SMILES notation for N-methyl-1-(2-propan-2-ylindazol-5-yl)ethanamine?
The canonical SMILES for N-methyl-1-(2-propan-2-ylindazol-5-yl)ethanamine is CNC(C)c1ccc2nn(C(C)C)cc2c1.
What is the InChIKey of N-methyl-1-(2-propan-2-ylindazol-5-yl)ethanamine?
The InChIKey is AUCMPQVEMRKQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-9(2)16-8-12-7-11(10(3)14-4)5-6-13(12)15-16/h5-10,14H,1-4H3.
What are the key properties of N-methyl-1-(2-propan-2-ylindazol-5-yl)ethanamine?
N-methyl-1-(2-propan-2-ylindazol-5-yl)ethanamine has a molecular weight of 217.32 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-propan-2-ylindazol-5-yl)ethanamine is sourced from PubChem (CID 84724099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).