2-amino-2-(3,3-dimethylcyclohepta-1,4,6-trien-1-yl)ethanol

C11H17NO — CID 123591954

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

About 2-amino-2-(3,3-dimethylcyclohepta-1,4,6-trien-1-yl)ethanol

2-amino-2-(3,3-dimethylcyclohepta-1,4,6-trien-1-yl)ethanol (PubChem CID 123591954) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 2-amino-2-(3,3-dimethylcyclohepta-1,4,6-trien-1-yl)ethanol.

Molecular Properties

Compound Name2-amino-2-(3,3-dimethylcyclohepta-1,4,6-trien-1-yl)ethanol
PubChem CID123591954
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name2-amino-2-(3,3-dimethylcyclohepta-1,4,6-trien-1-yl)ethanol
SMILESCC1(C)C=CC=CC(C(N)CO)=C1
InChIInChI=1S/C11H17NO/c1-11(2)6-4-3-5-9(7-11)10(12)8-13/h3-7,10,13H,8,12H2,1-2H3
InChIKeyGEMDSBLVPCHLSX-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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Related Compounds

(3E)-5-amino-3-fluoro-2,2,6-trimethylhepta-3,6-dien-1-ol
CID 139455860
(2S)-2-amino-2-(5-fluorocyclohexa-1,5-dien-1-yl)ethanol
CID 144266272
(3E,5E)-2-amino-6-(2-fluoropropan-2-yl)-3-methylocta-3,5,7-trien-1-ol
CID 145012073
(4E)-2-amino-5,6-difluoro-3-methylidenehepta-4,6-dien-1-ol
CID 142559493
2-Amino-2-(3-methylcyclohexa-1,5-dien-1-yl)ethanol
CID 68098762
(2R)-2-amino-2-cyclohexa-1,5-dien-1-ylethanol
CID 68177021
2-Amino-2-cyclohexa-1,5-dien-1-ylethanol
CID 77417632
(Z,2E)-5-amino-2-propylidenehex-3-en-1-ol
CID 88270604
(2E,4E)-6-amino-2-ethenyl-5-methylocta-2,4-dien-1-ol
CID 89098989
(E,2R)-2-amino-3-methylideneoctadec-4-en-1-ol
CID 89234774
2-Amino-3-prop-1-enylhex-3-en-1-ol
CID 90939141
2-Amino-3-prop-1-enylhex-3-ene-1,1-diol
CID 91473851

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3,3-dimethylcyclohepta-1,4,6-trien-1-yl)ethanol?
The IUPAC name of 2-amino-2-(3,3-dimethylcyclohepta-1,4,6-trien-1-yl)ethanol (CID 123591954) is 2-amino-2-(3,3-dimethylcyclohepta-1,4,6-trien-1-yl)ethanol.
What is the SMILES notation for 2-amino-2-(3,3-dimethylcyclohepta-1,4,6-trien-1-yl)ethanol?
The canonical SMILES for 2-amino-2-(3,3-dimethylcyclohepta-1,4,6-trien-1-yl)ethanol is CC1(C)C=CC=CC(C(N)CO)=C1.
What is the InChIKey of 2-amino-2-(3,3-dimethylcyclohepta-1,4,6-trien-1-yl)ethanol?
The InChIKey is GEMDSBLVPCHLSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-11(2)6-4-3-5-9(7-11)10(12)8-13/h3-7,10,13H,8,12H2,1-2H3.
What are the key properties of 2-amino-2-(3,3-dimethylcyclohepta-1,4,6-trien-1-yl)ethanol?
2-amino-2-(3,3-dimethylcyclohepta-1,4,6-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-(3,3-dimethylcyclohepta-1,4,6-trien-1-yl)ethanol is sourced from PubChem (CID 123591954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).