2-[2-(4-ethenyl-7-methylcyclohepta-2,4-dien-1-yl)ethyl-(2-hydroxyethyl)amino]ethanol

C16H27NO2 — CID 89351791

IUPAC2-[2-(4-ethenyl-7-methylcyclohepta-2,4-dien-1-yl)ethyl-(2-hydroxyethyl)amino]ethanol
SMILESC=CC1=CCC(C)C(CCN(CCO)CCO)C=C1
InChIInChI=1S/C16H27NO2/c1-3-15-5-4-14(2)16(7-6-15)8-9-17(10-12-18)11-13-19/h3,5-7,14,16,18-19H,1,4,8-13H2,2H3
InChIKeyICPWOMMJZTZRFX-UHFFFAOYSA-N
MW265.40 g/mol
LogP1.99
Rot. Bonds8

About 2-[2-(4-ethenyl-7-methylcyclohepta-2,4-dien-1-yl)ethyl-(2-hydroxyethyl)amino]ethanol

2-[2-(4-ethenyl-7-methylcyclohepta-2,4-dien-1-yl)ethyl-(2-hydroxyethyl)amino]ethanol (PubChem CID 89351791) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-[2-(4-ethenyl-7-methylcyclohepta-2,4-dien-1-yl)ethyl-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[2-(4-ethenyl-7-methylcyclohepta-2,4-dien-1-yl)ethyl-(2-hydroxyethyl)amino]ethanol
PubChem CID89351791
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name2-[2-(4-ethenyl-7-methylcyclohepta-2,4-dien-1-yl)ethyl-(2-hydroxyethyl)amino]ethanol
SMILESC=CC1=CCC(C)C(CCN(CCO)CCO)C=C1
InChIInChI=1S/C16H27NO2/c1-3-15-5-4-14(2)16(7-6-15)8-9-17(10-12-18)11-13-19/h3,5-7,14,16,18-19H,1,4,8-13H2,2H3
InChIKeyICPWOMMJZTZRFX-UHFFFAOYSA-N
XLogP1.99
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethenyl-7-methylcyclohepta-2,4-dien-1-yl)ethyl-(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[2-(4-ethenyl-7-methylcyclohepta-2,4-dien-1-yl)ethyl-(2-hydroxyethyl)amino]ethanol (CID 89351791) is 2-[2-(4-ethenyl-7-methylcyclohepta-2,4-dien-1-yl)ethyl-(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[2-(4-ethenyl-7-methylcyclohepta-2,4-dien-1-yl)ethyl-(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[2-(4-ethenyl-7-methylcyclohepta-2,4-dien-1-yl)ethyl-(2-hydroxyethyl)amino]ethanol is C=CC1=CCC(C)C(CCN(CCO)CCO)C=C1.
What is the InChIKey of 2-[2-(4-ethenyl-7-methylcyclohepta-2,4-dien-1-yl)ethyl-(2-hydroxyethyl)amino]ethanol?
The InChIKey is ICPWOMMJZTZRFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-3-15-5-4-14(2)16(7-6-15)8-9-17(10-12-18)11-13-19/h3,5-7,14,16,18-19H,1,4,8-13H2,2H3.
What are the key properties of 2-[2-(4-ethenyl-7-methylcyclohepta-2,4-dien-1-yl)ethyl-(2-hydroxyethyl)amino]ethanol?
2-[2-(4-ethenyl-7-methylcyclohepta-2,4-dien-1-yl)ethyl-(2-hydroxyethyl)amino]ethanol has a molecular weight of 265.40 g/mol, XLogP of 1.99, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethenyl-7-methylcyclohepta-2,4-dien-1-yl)ethyl-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 89351791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).