6-[1-(1-amino-6-propan-2-yl-2,3-dihydro-1H-inden-2-yl)propan-2-yl]-1,2,3,4-tetrahydronaphthalen-1-ol

C25H33NO — CID 146174337

IUPAC6-[1-(1-amino-6-propan-2-yl-2,3-dihydro-1H-inden-2-yl)propan-2-yl]-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCC(C)c1ccc2c(c1)C(N)C(CC(C)c1ccc3c(c1)CCCC3O)C2
InChIInChI=1S/C25H33NO/c1-15(2)17-7-8-20-13-21(25(26)23(20)14-17)11-16(3)18-9-10-22-19(12-18)5-4-6-24(22)27/h7-10,12,14-16,21,24-25,27H,4-6,11,13,26H2,1-3H3
InChIKeyUREXQUPSNUFNAJ-UHFFFAOYSA-N
MW363.55 g/mol
LogP5.55
Rot. Bonds4

About 6-[1-(1-amino-6-propan-2-yl-2,3-dihydro-1H-inden-2-yl)propan-2-yl]-1,2,3,4-tetrahydronaphthalen-1-ol

6-[1-(1-amino-6-propan-2-yl-2,3-dihydro-1H-inden-2-yl)propan-2-yl]-1,2,3,4-tetrahydronaphthalen-1-ol (PubChem CID 146174337) has the molecular formula C25H33NO and a molecular weight of 363.55 g/mol. Its IUPAC name is 6-[1-(1-amino-6-propan-2-yl-2,3-dihydro-1H-inden-2-yl)propan-2-yl]-1,2,3,4-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name6-[1-(1-amino-6-propan-2-yl-2,3-dihydro-1H-inden-2-yl)propan-2-yl]-1,2,3,4-tetrahydronaphthalen-1-ol
PubChem CID146174337
Molecular FormulaC25H33NO
Molecular Weight363.55 g/mol
Exact Mass363.26
IUPAC Name6-[1-(1-amino-6-propan-2-yl-2,3-dihydro-1H-inden-2-yl)propan-2-yl]-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCC(C)c1ccc2c(c1)C(N)C(CC(C)c1ccc3c(c1)CCCC3O)C2
InChIInChI=1S/C25H33NO/c1-15(2)17-7-8-20-13-21(25(26)23(20)14-17)11-16(3)18-9-10-22-19(12-18)5-4-6-24(22)27/h7-10,12,14-16,21,24-25,27H,4-6,11,13,26H2,1-3H3
InChIKeyUREXQUPSNUFNAJ-UHFFFAOYSA-N
XLogP5.55
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.55
LogP ≤ 55.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(1-amino-6-propan-2-yl-2,3-dihydro-1H-inden-2-yl)propan-2-yl]-1,2,3,4-tetrahydronaphthalen-1-ol?
The IUPAC name of 6-[1-(1-amino-6-propan-2-yl-2,3-dihydro-1H-inden-2-yl)propan-2-yl]-1,2,3,4-tetrahydronaphthalen-1-ol (CID 146174337) is 6-[1-(1-amino-6-propan-2-yl-2,3-dihydro-1H-inden-2-yl)propan-2-yl]-1,2,3,4-tetrahydronaphthalen-1-ol.
What is the SMILES notation for 6-[1-(1-amino-6-propan-2-yl-2,3-dihydro-1H-inden-2-yl)propan-2-yl]-1,2,3,4-tetrahydronaphthalen-1-ol?
The canonical SMILES for 6-[1-(1-amino-6-propan-2-yl-2,3-dihydro-1H-inden-2-yl)propan-2-yl]-1,2,3,4-tetrahydronaphthalen-1-ol is CC(C)c1ccc2c(c1)C(N)C(CC(C)c1ccc3c(c1)CCCC3O)C2.
What is the InChIKey of 6-[1-(1-amino-6-propan-2-yl-2,3-dihydro-1H-inden-2-yl)propan-2-yl]-1,2,3,4-tetrahydronaphthalen-1-ol?
The InChIKey is UREXQUPSNUFNAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33NO/c1-15(2)17-7-8-20-13-21(25(26)23(20)14-17)11-16(3)18-9-10-22-19(12-18)5-4-6-24(22)27/h7-10,12,14-16,21,24-25,27H,4-6,11,13,26H2,1-3H3.
What are the key properties of 6-[1-(1-amino-6-propan-2-yl-2,3-dihydro-1H-inden-2-yl)propan-2-yl]-1,2,3,4-tetrahydronaphthalen-1-ol?
6-[1-(1-amino-6-propan-2-yl-2,3-dihydro-1H-inden-2-yl)propan-2-yl]-1,2,3,4-tetrahydronaphthalen-1-ol has a molecular weight of 363.55 g/mol, XLogP of 5.55, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(1-amino-6-propan-2-yl-2,3-dihydro-1H-inden-2-yl)propan-2-yl]-1,2,3,4-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 146174337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).