2-(3-tert-butyl-2-methylindazol-6-yl)ethanamine

C14H21N3 — CID 105490205

IUPAC2-(3-tert-butyl-2-methylindazol-6-yl)ethanamine
SMILESCn1nc2cc(CCN)ccc2c1C(C)(C)C
InChIInChI=1S/C14H21N3/c1-14(2,3)13-11-6-5-10(7-8-15)9-12(11)16-17(13)4/h5-6,9H,7-8,15H2,1-4H3
InChIKeyVECJLAVBJDEAEM-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.37
Rot. Bonds2

About 2-(3-tert-butyl-2-methylindazol-6-yl)ethanamine

2-(3-tert-butyl-2-methylindazol-6-yl)ethanamine (PubChem CID 105490205) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-(3-tert-butyl-2-methylindazol-6-yl)ethanamine.

Molecular Properties

Compound Name2-(3-tert-butyl-2-methylindazol-6-yl)ethanamine
PubChem CID105490205
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name2-(3-tert-butyl-2-methylindazol-6-yl)ethanamine
SMILESCn1nc2cc(CCN)ccc2c1C(C)(C)C
InChIInChI=1S/C14H21N3/c1-14(2,3)13-11-6-5-10(7-8-15)9-12(11)16-17(13)4/h5-6,9H,7-8,15H2,1-4H3
InChIKeyVECJLAVBJDEAEM-UHFFFAOYSA-N
XLogP2.37
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-tert-butyl-2-methylindazol-5-yl)methanamine
CID 105471747
[2-methyl-3-(trifluoromethyl)indazol-6-yl]methanamine
CID 105486263
2-(3-bromo-2-ethylindazol-6-yl)ethanamine
CID 84729863
2-(1-methylbenzimidazol-5-yl)ethanamine
CID 82255151
2-(2-ethylbenzotriazol-5-yl)ethanamine
CID 84719598
2-[1-methyl-3-(2-methylpropyl)indazol-6-yl]ethanamine
CID 105490219
2-(3-tert-butyl-1,2-benzoxazol-6-yl)ethanamine
CID 105472824
3-(3-bromo-2-methylindazol-5-yl)propan-1-amine
CID 84729937
2-(1,2-dimethylbenzimidazol-5-yl)ethanamine
CID 82255152
2-(3-ethyl-2H-indazol-5-yl)ethanamine
CID 105443877
2-(3-propan-2-yl-2H-indazol-5-yl)ethanamine
CID 105455752
3-(5-tert-butyl-1-methylpyrazol-4-yl)propan-1-amine
CID 83879605

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butyl-2-methylindazol-6-yl)ethanamine?
The IUPAC name of 2-(3-tert-butyl-2-methylindazol-6-yl)ethanamine (CID 105490205) is 2-(3-tert-butyl-2-methylindazol-6-yl)ethanamine.
What is the SMILES notation for 2-(3-tert-butyl-2-methylindazol-6-yl)ethanamine?
The canonical SMILES for 2-(3-tert-butyl-2-methylindazol-6-yl)ethanamine is Cn1nc2cc(CCN)ccc2c1C(C)(C)C.
What is the InChIKey of 2-(3-tert-butyl-2-methylindazol-6-yl)ethanamine?
The InChIKey is VECJLAVBJDEAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-14(2,3)13-11-6-5-10(7-8-15)9-12(11)16-17(13)4/h5-6,9H,7-8,15H2,1-4H3.
What are the key properties of 2-(3-tert-butyl-2-methylindazol-6-yl)ethanamine?
2-(3-tert-butyl-2-methylindazol-6-yl)ethanamine has a molecular weight of 231.34 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butyl-2-methylindazol-6-yl)ethanamine is sourced from PubChem (CID 105490205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).