2-amino-2-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)ethanol

C11H17NO — CID 130283849

IUPAC2-amino-2-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)ethanol
SMILESCC1(C)C=CC=C(C(N)CO)C=C1
InChIInChI=1S/C11H17NO/c1-11(2)6-3-4-9(5-7-11)10(12)8-13/h3-7,10,13H,8,12H2,1-2H3
InChIKeyWAWAAEPXWIAHDD-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.38
Rot. Bonds2

About 2-amino-2-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)ethanol

2-amino-2-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)ethanol (PubChem CID 130283849) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 2-amino-2-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)ethanol.

Molecular Properties

Compound Name2-amino-2-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)ethanol
PubChem CID130283849
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name2-amino-2-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)ethanol
SMILESCC1(C)C=CC=C(C(N)CO)C=C1
InChIInChI=1S/C11H17NO/c1-11(2)6-3-4-9(5-7-11)10(12)8-13/h3-7,10,13H,8,12H2,1-2H3
InChIKeyWAWAAEPXWIAHDD-UHFFFAOYSA-N
XLogP1.38
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)ethanol?
The IUPAC name of 2-amino-2-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)ethanol (CID 130283849) is 2-amino-2-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)ethanol.
What is the SMILES notation for 2-amino-2-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)ethanol?
The canonical SMILES for 2-amino-2-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)ethanol is CC1(C)C=CC=C(C(N)CO)C=C1.
What is the InChIKey of 2-amino-2-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)ethanol?
The InChIKey is WAWAAEPXWIAHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-11(2)6-3-4-9(5-7-11)10(12)8-13/h3-7,10,13H,8,12H2,1-2H3.
What are the key properties of 2-amino-2-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)ethanol?
2-amino-2-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)ethanol has a molecular weight of 179.26 g/mol, XLogP of 1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)ethanol is sourced from PubChem (CID 130283849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).