2-[bis(2-cyclohexa-1,3-dien-1-ylethyl)amino]ethanol

C18H27NO — CID 20501631

IUPAC2-[bis(2-cyclohexa-1,3-dien-1-ylethyl)amino]ethanol
SMILESOCCN(CCC1=CC=CCC1)CCC1=CC=CCC1
InChIInChI=1S/C18H27NO/c20-16-15-19(13-11-17-7-3-1-4-8-17)14-12-18-9-5-2-6-10-18/h1-3,5,7,9,20H,4,6,8,10-16H2
InChIKeyLIRDNHJPWJLCCH-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.61
Rot. Bonds8

About 2-[bis(2-cyclohexa-1,3-dien-1-ylethyl)amino]ethanol

2-[bis(2-cyclohexa-1,3-dien-1-ylethyl)amino]ethanol (PubChem CID 20501631) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 2-[bis(2-cyclohexa-1,3-dien-1-ylethyl)amino]ethanol.

Molecular Properties

Compound Name2-[bis(2-cyclohexa-1,3-dien-1-ylethyl)amino]ethanol
PubChem CID20501631
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name2-[bis(2-cyclohexa-1,3-dien-1-ylethyl)amino]ethanol
SMILESOCCN(CCC1=CC=CCC1)CCC1=CC=CCC1
InChIInChI=1S/C18H27NO/c20-16-15-19(13-11-17-7-3-1-4-8-17)14-12-18-9-5-2-6-10-18/h1-3,5,7,9,20H,4,6,8,10-16H2
InChIKeyLIRDNHJPWJLCCH-UHFFFAOYSA-N
XLogP3.61
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-cyclohexa-1,3-dien-1-ylethyl)amino]ethanol?
The IUPAC name of 2-[bis(2-cyclohexa-1,3-dien-1-ylethyl)amino]ethanol (CID 20501631) is 2-[bis(2-cyclohexa-1,3-dien-1-ylethyl)amino]ethanol.
What is the SMILES notation for 2-[bis(2-cyclohexa-1,3-dien-1-ylethyl)amino]ethanol?
The canonical SMILES for 2-[bis(2-cyclohexa-1,3-dien-1-ylethyl)amino]ethanol is OCCN(CCC1=CC=CCC1)CCC1=CC=CCC1.
What is the InChIKey of 2-[bis(2-cyclohexa-1,3-dien-1-ylethyl)amino]ethanol?
The InChIKey is LIRDNHJPWJLCCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c20-16-15-19(13-11-17-7-3-1-4-8-17)14-12-18-9-5-2-6-10-18/h1-3,5,7,9,20H,4,6,8,10-16H2.
What are the key properties of 2-[bis(2-cyclohexa-1,3-dien-1-ylethyl)amino]ethanol?
2-[bis(2-cyclohexa-1,3-dien-1-ylethyl)amino]ethanol has a molecular weight of 273.42 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-cyclohexa-1,3-dien-1-ylethyl)amino]ethanol is sourced from PubChem (CID 20501631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).