2-(2-aminopropan-2-yl)-3,4,5,6,7,8-hexahydro-2H-anthracen-1-one

C17H23NO — CID 21146145

IUPAC2-(2-aminopropan-2-yl)-3,4,5,6,7,8-hexahydro-2H-anthracen-1-one
SMILESCC(C)(N)C1CCc2cc3c(cc2C1=O)CCCC3
InChIInChI=1S/C17H23NO/c1-17(2,18)15-8-7-13-9-11-5-3-4-6-12(11)10-14(13)16(15)19/h9-10,15H,3-8,18H2,1-2H3
InChIKeyHIBHXTFOOYJYEJ-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.05
Rot. Bonds1

About 2-(2-aminopropan-2-yl)-3,4,5,6,7,8-hexahydro-2H-anthracen-1-one

2-(2-aminopropan-2-yl)-3,4,5,6,7,8-hexahydro-2H-anthracen-1-one (PubChem CID 21146145) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-(2-aminopropan-2-yl)-3,4,5,6,7,8-hexahydro-2H-anthracen-1-one.

Molecular Properties

Compound Name2-(2-aminopropan-2-yl)-3,4,5,6,7,8-hexahydro-2H-anthracen-1-one
PubChem CID21146145
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name2-(2-aminopropan-2-yl)-3,4,5,6,7,8-hexahydro-2H-anthracen-1-one
SMILESCC(C)(N)C1CCc2cc3c(cc2C1=O)CCCC3
InChIInChI=1S/C17H23NO/c1-17(2,18)15-8-7-13-9-11-5-3-4-6-12(11)10-14(13)16(15)19/h9-10,15H,3-8,18H2,1-2H3
InChIKeyHIBHXTFOOYJYEJ-UHFFFAOYSA-N
XLogP3.05
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropan-2-yl)-3,4,5,6,7,8-hexahydro-2H-anthracen-1-one?
The IUPAC name of 2-(2-aminopropan-2-yl)-3,4,5,6,7,8-hexahydro-2H-anthracen-1-one (CID 21146145) is 2-(2-aminopropan-2-yl)-3,4,5,6,7,8-hexahydro-2H-anthracen-1-one.
What is the SMILES notation for 2-(2-aminopropan-2-yl)-3,4,5,6,7,8-hexahydro-2H-anthracen-1-one?
The canonical SMILES for 2-(2-aminopropan-2-yl)-3,4,5,6,7,8-hexahydro-2H-anthracen-1-one is CC(C)(N)C1CCc2cc3c(cc2C1=O)CCCC3.
What is the InChIKey of 2-(2-aminopropan-2-yl)-3,4,5,6,7,8-hexahydro-2H-anthracen-1-one?
The InChIKey is HIBHXTFOOYJYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-17(2,18)15-8-7-13-9-11-5-3-4-6-12(11)10-14(13)16(15)19/h9-10,15H,3-8,18H2,1-2H3.
What are the key properties of 2-(2-aminopropan-2-yl)-3,4,5,6,7,8-hexahydro-2H-anthracen-1-one?
2-(2-aminopropan-2-yl)-3,4,5,6,7,8-hexahydro-2H-anthracen-1-one has a molecular weight of 257.38 g/mol, XLogP of 3.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropan-2-yl)-3,4,5,6,7,8-hexahydro-2H-anthracen-1-one is sourced from PubChem (CID 21146145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).