3-methyl-2-(7-methyl-2H-indazol-3-yl)butan-1-amine

C13H19N3 — CID 83910115

IUPAC3-methyl-2-(7-methyl-2H-indazol-3-yl)butan-1-amine
SMILESCc1cccc2c(C(CN)C(C)C)[nH]nc12
InChIInChI=1S/C13H19N3/c1-8(2)11(7-14)13-10-6-4-5-9(3)12(10)15-16-13/h4-6,8,11H,7,14H2,1-3H3,(H,15,16)
InChIKeyMSHFRMYIFXEZNC-UHFFFAOYSA-N
MW217.32 g/mol
LogP2.57
Rot. Bonds3

About 3-methyl-2-(7-methyl-2H-indazol-3-yl)butan-1-amine

3-methyl-2-(7-methyl-2H-indazol-3-yl)butan-1-amine (PubChem CID 83910115) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 3-methyl-2-(7-methyl-2H-indazol-3-yl)butan-1-amine.

Molecular Properties

Compound Name3-methyl-2-(7-methyl-2H-indazol-3-yl)butan-1-amine
PubChem CID83910115
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name3-methyl-2-(7-methyl-2H-indazol-3-yl)butan-1-amine
SMILESCc1cccc2c(C(CN)C(C)C)[nH]nc12
InChIInChI=1S/C13H19N3/c1-8(2)11(7-14)13-10-6-4-5-9(3)12(10)15-16-13/h4-6,8,11H,7,14H2,1-3H3,(H,15,16)
InChIKeyMSHFRMYIFXEZNC-UHFFFAOYSA-N
XLogP2.57
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(7-methyl-2H-indazol-3-yl)propan-2-amine
CID 83907203
3,7-dimethyl-2H-indazole;propane
CID 143828593
(3-propan-2-yl-2H-indazol-7-yl)methanamine
CID 105443889
3-benzyl-7-methyl-2H-indazole
CID 123435500
2-(7-methoxy-2H-indazol-3-yl)propan-1-amine
CID 83908733
3-methyl-2-(1,2,7-trimethylindol-3-yl)butan-1-amine
CID 82497735
1-(7-fluoro-2H-indazol-3-yl)-2-methylpropan-1-amine
CID 112716018
2-(2-bromo-3-methylphenyl)-3-methylbutan-1-amine
CID 83730937
1-(7-bromo-2H-indazol-3-yl)ethanamine
CID 83912564
(8-methyl-2-propan-2-ylquinolin-4-yl)methanamine
CID 82447883
3-methyl-2-(2-methyl-1-benzofuran-3-yl)butan-1-amine
CID 116987428
(4,8-dimethylquinolin-2-yl)methanamine
CID 82573614

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(7-methyl-2H-indazol-3-yl)butan-1-amine?
The IUPAC name of 3-methyl-2-(7-methyl-2H-indazol-3-yl)butan-1-amine (CID 83910115) is 3-methyl-2-(7-methyl-2H-indazol-3-yl)butan-1-amine.
What is the SMILES notation for 3-methyl-2-(7-methyl-2H-indazol-3-yl)butan-1-amine?
The canonical SMILES for 3-methyl-2-(7-methyl-2H-indazol-3-yl)butan-1-amine is Cc1cccc2c(C(CN)C(C)C)[nH]nc12.
What is the InChIKey of 3-methyl-2-(7-methyl-2H-indazol-3-yl)butan-1-amine?
The InChIKey is MSHFRMYIFXEZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-8(2)11(7-14)13-10-6-4-5-9(3)12(10)15-16-13/h4-6,8,11H,7,14H2,1-3H3,(H,15,16).
What are the key properties of 3-methyl-2-(7-methyl-2H-indazol-3-yl)butan-1-amine?
3-methyl-2-(7-methyl-2H-indazol-3-yl)butan-1-amine has a molecular weight of 217.32 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(7-methyl-2H-indazol-3-yl)butan-1-amine is sourced from PubChem (CID 83910115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).