1-(tert-butylamino)-3-(1-ethylindazol-3-yl)-2-methylpropan-2-ol

C17H27N3O — CID 66037989

IUPAC1-(tert-butylamino)-3-(1-ethylindazol-3-yl)-2-methylpropan-2-ol
SMILESCCn1nc(CC(C)(O)CNC(C)(C)C)c2ccccc21
InChIInChI=1S/C17H27N3O/c1-6-20-15-10-8-7-9-13(15)14(19-20)11-17(5,21)12-18-16(2,3)4/h7-10,18,21H,6,11-12H2,1-5H3
InChIKeyQLJQEUXMEBYFEF-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.74
Rot. Bonds5

About 1-(tert-butylamino)-3-(1-ethylindazol-3-yl)-2-methylpropan-2-ol

1-(tert-butylamino)-3-(1-ethylindazol-3-yl)-2-methylpropan-2-ol (PubChem CID 66037989) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-(tert-butylamino)-3-(1-ethylindazol-3-yl)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(tert-butylamino)-3-(1-ethylindazol-3-yl)-2-methylpropan-2-ol
PubChem CID66037989
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name1-(tert-butylamino)-3-(1-ethylindazol-3-yl)-2-methylpropan-2-ol
SMILESCCn1nc(CC(C)(O)CNC(C)(C)C)c2ccccc21
InChIInChI=1S/C17H27N3O/c1-6-20-15-10-8-7-9-13(15)14(19-20)11-17(5,21)12-18-16(2,3)4/h7-10,18,21H,6,11-12H2,1-5H3
InChIKeyQLJQEUXMEBYFEF-UHFFFAOYSA-N
XLogP2.74
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)-3-(1-ethylindazol-3-yl)-2-methylpropan-2-ol?
The IUPAC name of 1-(tert-butylamino)-3-(1-ethylindazol-3-yl)-2-methylpropan-2-ol (CID 66037989) is 1-(tert-butylamino)-3-(1-ethylindazol-3-yl)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(tert-butylamino)-3-(1-ethylindazol-3-yl)-2-methylpropan-2-ol?
The canonical SMILES for 1-(tert-butylamino)-3-(1-ethylindazol-3-yl)-2-methylpropan-2-ol is CCn1nc(CC(C)(O)CNC(C)(C)C)c2ccccc21.
What is the InChIKey of 1-(tert-butylamino)-3-(1-ethylindazol-3-yl)-2-methylpropan-2-ol?
The InChIKey is QLJQEUXMEBYFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-6-20-15-10-8-7-9-13(15)14(19-20)11-17(5,21)12-18-16(2,3)4/h7-10,18,21H,6,11-12H2,1-5H3.
What are the key properties of 1-(tert-butylamino)-3-(1-ethylindazol-3-yl)-2-methylpropan-2-ol?
1-(tert-butylamino)-3-(1-ethylindazol-3-yl)-2-methylpropan-2-ol has a molecular weight of 289.42 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylamino)-3-(1-ethylindazol-3-yl)-2-methylpropan-2-ol is sourced from PubChem (CID 66037989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).