(3-tert-butyl-2-methylindazol-5-yl)methanamine

C13H19N3 — CID 105471747

IUPAC(3-tert-butyl-2-methylindazol-5-yl)methanamine
SMILESCn1nc2ccc(CN)cc2c1C(C)(C)C
InChIInChI=1S/C13H19N3/c1-13(2,3)12-10-7-9(8-14)5-6-11(10)15-16(12)4/h5-7H,8,14H2,1-4H3
InChIKeyDCILFXLWMKUNSC-UHFFFAOYSA-N
MW217.32 g/mol
LogP2.33
Rot. Bonds1

About (3-tert-butyl-2-methylindazol-5-yl)methanamine

(3-tert-butyl-2-methylindazol-5-yl)methanamine (PubChem CID 105471747) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is (3-tert-butyl-2-methylindazol-5-yl)methanamine.

Molecular Properties

Compound Name(3-tert-butyl-2-methylindazol-5-yl)methanamine
PubChem CID105471747
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name(3-tert-butyl-2-methylindazol-5-yl)methanamine
SMILESCn1nc2ccc(CN)cc2c1C(C)(C)C
InChIInChI=1S/C13H19N3/c1-13(2,3)12-10-7-9(8-14)5-6-11(10)15-16(12)4/h5-7H,8,14H2,1-4H3
InChIKeyDCILFXLWMKUNSC-UHFFFAOYSA-N
XLogP2.33
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-tert-butyl-2-methylindazol-6-yl)ethanamine
CID 105490205
[2-methyl-3-(trifluoromethyl)indazol-6-yl]methanamine
CID 105486263
(3-chloro-1-methylindazol-5-yl)methanamine
CID 83446741
3-(3-bromo-2-methylindazol-5-yl)propan-1-amine
CID 84729937
[2-(3,3-dimethylbutyl)-3-methylbenzimidazol-5-yl]methanamine
CID 114212936
5-(aminomethyl)-1-methylindazole-3-carboxylic acid
CID 84778324
(2-propan-2-ylbenzotriazol-5-yl)methanamine
CID 84719599
(3-fluoro-2H-indazol-5-yl)methanamine
CID 167375021
[6-(aminomethyl)-1-methylbenzimidazol-2-yl]methanol
CID 104713063
[4-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]phenyl]methanamine
CID 129139605
6-(aminomethyl)-1-methylbenzimidazol-2-amine
CID 84767207
methane;(1-methylbenzimidazol-5-yl)methanamine
CID 159204423

Frequently Asked Questions

What is the IUPAC name of (3-tert-butyl-2-methylindazol-5-yl)methanamine?
The IUPAC name of (3-tert-butyl-2-methylindazol-5-yl)methanamine (CID 105471747) is (3-tert-butyl-2-methylindazol-5-yl)methanamine.
What is the SMILES notation for (3-tert-butyl-2-methylindazol-5-yl)methanamine?
The canonical SMILES for (3-tert-butyl-2-methylindazol-5-yl)methanamine is Cn1nc2ccc(CN)cc2c1C(C)(C)C.
What is the InChIKey of (3-tert-butyl-2-methylindazol-5-yl)methanamine?
The InChIKey is DCILFXLWMKUNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-13(2,3)12-10-7-9(8-14)5-6-11(10)15-16(12)4/h5-7H,8,14H2,1-4H3.
What are the key properties of (3-tert-butyl-2-methylindazol-5-yl)methanamine?
(3-tert-butyl-2-methylindazol-5-yl)methanamine has a molecular weight of 217.32 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-tert-butyl-2-methylindazol-5-yl)methanamine is sourced from PubChem (CID 105471747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).