7-(tert-butylamino)-5,6,7,8-tetrahydronaphthalen-1-ol;4-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;6-(propan-2-ylamino)-5,6,7,8-tetrahydronaphthalen-2-ol

C49H68N6O2 — CID 158249508

IUPAC7-(tert-butylamino)-5,6,7,8-tetrahydronaphthalen-1-ol;4-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;6-(propan-2-ylamino)-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCC(C)(C)NC1CCc2cccc(O)c2C1.CC(C)(C)c1ccc2cn[nH]c2c1.CC(C)(C)c1cccc2[nH]ncc12.CC(C)NC1CCc2cc(O)ccc2C1
InChIInChI=1S/C14H21NO.C13H19NO.2C11H14N2/c1-14(2,3)15-11-8-7-10-5-4-6-13(16)12(10)9-11;1-9(2)14-12-5-3-11-8-13(15)6-4-10(11)7-12;1-11(2,3)9-5-4-8-7-12-13-10(8)6-9;1-11(2,3)9-5-4-6-10-8(9)7-12-13-10/h4-6,11,15-16H,7-9H2,1-3H3;4,6,8-9,12,14-15H,3,5,7H2,1-2H3;2*4-7H,1-3H3,(H,12,13)
InChIKeyGGNQOPUQSFOBCQ-UHFFFAOYSA-N
MW773.12 g/mol
LogP10.61
Rot. Bonds3

About 7-(tert-butylamino)-5,6,7,8-tetrahydronaphthalen-1-ol;4-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;6-(propan-2-ylamino)-5,6,7,8-tetrahydronaphthalen-2-ol

7-(tert-butylamino)-5,6,7,8-tetrahydronaphthalen-1-ol;4-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;6-(propan-2-ylamino)-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 158249508) has the molecular formula C49H68N6O2 and a molecular weight of 773.12 g/mol. Its IUPAC name is 7-(tert-butylamino)-5,6,7,8-tetrahydronaphthalen-1-ol;4-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;6-(propan-2-ylamino)-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name7-(tert-butylamino)-5,6,7,8-tetrahydronaphthalen-1-ol;4-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;6-(propan-2-ylamino)-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID158249508
Molecular FormulaC49H68N6O2
Molecular Weight773.12 g/mol
Exact Mass772.54
IUPAC Name7-(tert-butylamino)-5,6,7,8-tetrahydronaphthalen-1-ol;4-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;6-(propan-2-ylamino)-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCC(C)(C)NC1CCc2cccc(O)c2C1.CC(C)(C)c1ccc2cn[nH]c2c1.CC(C)(C)c1cccc2[nH]ncc12.CC(C)NC1CCc2cc(O)ccc2C1
InChIInChI=1S/C14H21NO.C13H19NO.2C11H14N2/c1-14(2,3)15-11-8-7-10-5-4-6-13(16)12(10)9-11;1-9(2)14-12-5-3-11-8-13(15)6-4-10(11)7-12;1-11(2,3)9-5-4-8-7-12-13-10(8)6-9;1-11(2,3)9-5-4-6-10-8(9)7-12-13-10/h4-6,11,15-16H,7-9H2,1-3H3;4,6,8-9,12,14-15H,3,5,7H2,1-2H3;2*4-7H,1-3H3,(H,12,13)
InChIKeyGGNQOPUQSFOBCQ-UHFFFAOYSA-N
XLogP10.61
TPSA121.88 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms57
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500773.12
LogP ≤ 510.61
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Analyze 7-(tert-butylamino)-5,6,7,8-tetrahydronaphthalen-1-ol;4-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;6-(propan-2-ylamino)-5,6,7,8-tetrahydronaphthalen-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-(tert-butylamino)-5,6,7,8-tetrahydronaphthalen-1-ol;4-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;6-(propan-2-ylamino)-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of 7-(tert-butylamino)-5,6,7,8-tetrahydronaphthalen-1-ol;4-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;6-(propan-2-ylamino)-5,6,7,8-tetrahydronaphthalen-2-ol (CID 158249508) is 7-(tert-butylamino)-5,6,7,8-tetrahydronaphthalen-1-ol;4-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;6-(propan-2-ylamino)-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 7-(tert-butylamino)-5,6,7,8-tetrahydronaphthalen-1-ol;4-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;6-(propan-2-ylamino)-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for 7-(tert-butylamino)-5,6,7,8-tetrahydronaphthalen-1-ol;4-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;6-(propan-2-ylamino)-5,6,7,8-tetrahydronaphthalen-2-ol is CC(C)(C)NC1CCc2cccc(O)c2C1.CC(C)(C)c1ccc2cn[nH]c2c1.CC(C)(C)c1cccc2[nH]ncc12.CC(C)NC1CCc2cc(O)ccc2C1.
What is the InChIKey of 7-(tert-butylamino)-5,6,7,8-tetrahydronaphthalen-1-ol;4-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;6-(propan-2-ylamino)-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is GGNQOPUQSFOBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO.C13H19NO.2C11H14N2/c1-14(2,3)15-11-8-7-10-5-4-6-13(16)12(10)9-11;1-9(2)14-12-5-3-11-8-13(15)6-4-10(11)7-12;1-11(2,3)9-5-4-8-7-12-13-10(8)6-9;1-11(2,3)9-5-4-6-10-8(9)7-12-13-10/h4-6,11,15-16H,7-9H2,1-3H3;4,6,8-9,12,14-15H,3,5,7H2,1-2H3;2*4-7H,1-3H3,(H,12,13).
What are the key properties of 7-(tert-butylamino)-5,6,7,8-tetrahydronaphthalen-1-ol;4-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;6-(propan-2-ylamino)-5,6,7,8-tetrahydronaphthalen-2-ol?
7-(tert-butylamino)-5,6,7,8-tetrahydronaphthalen-1-ol;4-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;6-(propan-2-ylamino)-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 773.12 g/mol, XLogP of 10.61, 3 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(tert-butylamino)-5,6,7,8-tetrahydronaphthalen-1-ol;4-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;6-(propan-2-ylamino)-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 158249508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).