6-amino-3,3-dimethyl-1,2-dihydroinden-1-ol

C11H15NO — CID 18399977

IUPAC6-amino-3,3-dimethyl-1,2-dihydroinden-1-ol
SMILESCC1(C)CC(O)c2cc(N)ccc21
InChIInChI=1S/C11H15NO/c1-11(2)6-10(13)8-5-7(12)3-4-9(8)11/h3-5,10,13H,6,12H2,1-2H3
InChIKeyJLXSVICIDAARHB-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.98
Rot. Bonds

About 6-amino-3,3-dimethyl-1,2-dihydroinden-1-ol

6-amino-3,3-dimethyl-1,2-dihydroinden-1-ol (PubChem CID 18399977) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 6-amino-3,3-dimethyl-1,2-dihydroinden-1-ol.

Molecular Properties

Compound Name6-amino-3,3-dimethyl-1,2-dihydroinden-1-ol
PubChem CID18399977
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name6-amino-3,3-dimethyl-1,2-dihydroinden-1-ol
SMILESCC1(C)CC(O)c2cc(N)ccc21
InChIInChI=1S/C11H15NO/c1-11(2)6-10(13)8-5-7(12)3-4-9(8)11/h3-5,10,13H,6,12H2,1-2H3
InChIKeyJLXSVICIDAARHB-UHFFFAOYSA-N
XLogP1.98
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-3,3-dimethyl-1,2-dihydroinden-1-ol?
The IUPAC name of 6-amino-3,3-dimethyl-1,2-dihydroinden-1-ol (CID 18399977) is 6-amino-3,3-dimethyl-1,2-dihydroinden-1-ol.
What is the SMILES notation for 6-amino-3,3-dimethyl-1,2-dihydroinden-1-ol?
The canonical SMILES for 6-amino-3,3-dimethyl-1,2-dihydroinden-1-ol is CC1(C)CC(O)c2cc(N)ccc21.
What is the InChIKey of 6-amino-3,3-dimethyl-1,2-dihydroinden-1-ol?
The InChIKey is JLXSVICIDAARHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-11(2)6-10(13)8-5-7(12)3-4-9(8)11/h3-5,10,13H,6,12H2,1-2H3.
What are the key properties of 6-amino-3,3-dimethyl-1,2-dihydroinden-1-ol?
6-amino-3,3-dimethyl-1,2-dihydroinden-1-ol has a molecular weight of 177.25 g/mol, XLogP of 1.98, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3,3-dimethyl-1,2-dihydroinden-1-ol is sourced from PubChem (CID 18399977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).