1-cyclohepta-1,3,6-trien-1-yl-2-(methylamino)ethanol

C10H15NO — CID 142050436

IUPAC1-cyclohepta-1,3,6-trien-1-yl-2-(methylamino)ethanol
SMILESCNCC(O)C1=CC=CCC=C1
InChIInChI=1S/C10H15NO/c1-11-8-10(12)9-6-4-2-3-5-7-9/h2,4-7,10-12H,3,8H2,1H3
InChIKeyWOXIGEKFDSVHAN-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.01
Rot. Bonds3

About 1-cyclohepta-1,3,6-trien-1-yl-2-(methylamino)ethanol

1-cyclohepta-1,3,6-trien-1-yl-2-(methylamino)ethanol (PubChem CID 142050436) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 1-cyclohepta-1,3,6-trien-1-yl-2-(methylamino)ethanol.

Molecular Properties

Compound Name1-cyclohepta-1,3,6-trien-1-yl-2-(methylamino)ethanol
PubChem CID142050436
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name1-cyclohepta-1,3,6-trien-1-yl-2-(methylamino)ethanol
SMILESCNCC(O)C1=CC=CCC=C1
InChIInChI=1S/C10H15NO/c1-11-8-10(12)9-6-4-2-3-5-7-9/h2,4-7,10-12H,3,8H2,1H3
InChIKeyWOXIGEKFDSVHAN-UHFFFAOYSA-N
XLogP1.01
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohepta-1,3,6-trien-1-yl-2-(methylamino)ethanol?
The IUPAC name of 1-cyclohepta-1,3,6-trien-1-yl-2-(methylamino)ethanol (CID 142050436) is 1-cyclohepta-1,3,6-trien-1-yl-2-(methylamino)ethanol.
What is the SMILES notation for 1-cyclohepta-1,3,6-trien-1-yl-2-(methylamino)ethanol?
The canonical SMILES for 1-cyclohepta-1,3,6-trien-1-yl-2-(methylamino)ethanol is CNCC(O)C1=CC=CCC=C1.
What is the InChIKey of 1-cyclohepta-1,3,6-trien-1-yl-2-(methylamino)ethanol?
The InChIKey is WOXIGEKFDSVHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-11-8-10(12)9-6-4-2-3-5-7-9/h2,4-7,10-12H,3,8H2,1H3.
What are the key properties of 1-cyclohepta-1,3,6-trien-1-yl-2-(methylamino)ethanol?
1-cyclohepta-1,3,6-trien-1-yl-2-(methylamino)ethanol has a molecular weight of 165.24 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohepta-1,3,6-trien-1-yl-2-(methylamino)ethanol is sourced from PubChem (CID 142050436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).