2-(methylamino)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-ol

C10H19NO — CID 58483981

IUPAC2-(methylamino)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-ol
SMILESCNC1CC2CCC(O)CC2C1
InChIInChI=1S/C10H19NO/c1-11-9-4-7-2-3-10(12)6-8(7)5-9/h7-12H,2-6H2,1H3
InChIKeyVMFYKWGDBGBZCS-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.15
Rot. Bonds1

About 2-(methylamino)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-ol

2-(methylamino)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-ol (PubChem CID 58483981) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-(methylamino)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-ol.

Molecular Properties

Compound Name2-(methylamino)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-ol
PubChem CID58483981
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name2-(methylamino)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-ol
SMILESCNC1CC2CCC(O)CC2C1
InChIInChI=1S/C10H19NO/c1-11-9-4-7-2-3-10(12)6-8(7)5-9/h7-12H,2-6H2,1H3
InChIKeyVMFYKWGDBGBZCS-UHFFFAOYSA-N
XLogP1.15
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-ol?
The IUPAC name of 2-(methylamino)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-ol (CID 58483981) is 2-(methylamino)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-ol.
What is the SMILES notation for 2-(methylamino)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-ol?
The canonical SMILES for 2-(methylamino)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-ol is CNC1CC2CCC(O)CC2C1.
What is the InChIKey of 2-(methylamino)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-ol?
The InChIKey is VMFYKWGDBGBZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-11-9-4-7-2-3-10(12)6-8(7)5-9/h7-12H,2-6H2,1H3.
What are the key properties of 2-(methylamino)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-ol?
2-(methylamino)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-ol has a molecular weight of 169.27 g/mol, XLogP of 1.15, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-ol is sourced from PubChem (CID 58483981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).