2-[[(4R)-4-aminocyclohexa-1,5-dien-1-yl]amino]ethanol

C8H14N2O — CID 166668396

IUPAC2-[[(4R)-4-aminocyclohexa-1,5-dien-1-yl]amino]ethanol
SMILESN[C@H]1C=CC(NCCO)=CC1
InChIInChI=1S/C8H14N2O/c9-7-1-3-8(4-2-7)10-5-6-11/h1,3-4,7,10-11H,2,5-6,9H2/t7-/m0/s1
InChIKeyWTYYPJUYTSWYCH-ZETCQYMHSA-N
MW154.21 g/mol
LogP-0.26
Rot. Bonds3

About 2-[[(4R)-4-aminocyclohexa-1,5-dien-1-yl]amino]ethanol

2-[[(4R)-4-aminocyclohexa-1,5-dien-1-yl]amino]ethanol (PubChem CID 166668396) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 2-[[(4R)-4-aminocyclohexa-1,5-dien-1-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[(4R)-4-aminocyclohexa-1,5-dien-1-yl]amino]ethanol
PubChem CID166668396
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name2-[[(4R)-4-aminocyclohexa-1,5-dien-1-yl]amino]ethanol
SMILESN[C@H]1C=CC(NCCO)=CC1
InChIInChI=1S/C8H14N2O/c9-7-1-3-8(4-2-7)10-5-6-11/h1,3-4,7,10-11H,2,5-6,9H2/t7-/m0/s1
InChIKeyWTYYPJUYTSWYCH-ZETCQYMHSA-N
XLogP-0.26
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[(4R)-4-aminocyclohexa-1,5-dien-1-yl]amino]ethanol?
The IUPAC name of 2-[[(4R)-4-aminocyclohexa-1,5-dien-1-yl]amino]ethanol (CID 166668396) is 2-[[(4R)-4-aminocyclohexa-1,5-dien-1-yl]amino]ethanol.
What is the SMILES notation for 2-[[(4R)-4-aminocyclohexa-1,5-dien-1-yl]amino]ethanol?
The canonical SMILES for 2-[[(4R)-4-aminocyclohexa-1,5-dien-1-yl]amino]ethanol is N[C@H]1C=CC(NCCO)=CC1.
What is the InChIKey of 2-[[(4R)-4-aminocyclohexa-1,5-dien-1-yl]amino]ethanol?
The InChIKey is WTYYPJUYTSWYCH-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H14N2O/c9-7-1-3-8(4-2-7)10-5-6-11/h1,3-4,7,10-11H,2,5-6,9H2/t7-/m0/s1.
What are the key properties of 2-[[(4R)-4-aminocyclohexa-1,5-dien-1-yl]amino]ethanol?
2-[[(4R)-4-aminocyclohexa-1,5-dien-1-yl]amino]ethanol has a molecular weight of 154.21 g/mol, XLogP of -0.26, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4R)-4-aminocyclohexa-1,5-dien-1-yl]amino]ethanol is sourced from PubChem (CID 166668396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).