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

C8H14N2O — CID 141134918

IUPAC2-[(2-aminocyclohexa-2,4-dien-1-yl)amino]ethanol
SMILESNC1=CC=CCC1NCCO
InChIInChI=1S/C8H14N2O/c9-7-3-1-2-4-8(7)10-5-6-11/h1-3,8,10-11H,4-6,9H2
InChIKeyOAVIOZOFTHPMKG-UHFFFAOYSA-N
MW154.21 g/mol
LogP-0.26
Rot. Bonds3

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

2-[(2-aminocyclohexa-2,4-dien-1-yl)amino]ethanol (PubChem CID 141134918) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 2-[(2-aminocyclohexa-2,4-dien-1-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(2-aminocyclohexa-2,4-dien-1-yl)amino]ethanol
PubChem CID141134918
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name2-[(2-aminocyclohexa-2,4-dien-1-yl)amino]ethanol
SMILESNC1=CC=CCC1NCCO
InChIInChI=1S/C8H14N2O/c9-7-3-1-2-4-8(7)10-5-6-11/h1-3,8,10-11H,4-6,9H2
InChIKeyOAVIOZOFTHPMKG-UHFFFAOYSA-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-[(2-aminocyclohexa-2,4-dien-1-yl)amino]ethanol?
The IUPAC name of 2-[(2-aminocyclohexa-2,4-dien-1-yl)amino]ethanol (CID 141134918) is 2-[(2-aminocyclohexa-2,4-dien-1-yl)amino]ethanol.
What is the SMILES notation for 2-[(2-aminocyclohexa-2,4-dien-1-yl)amino]ethanol?
The canonical SMILES for 2-[(2-aminocyclohexa-2,4-dien-1-yl)amino]ethanol is NC1=CC=CCC1NCCO.
What is the InChIKey of 2-[(2-aminocyclohexa-2,4-dien-1-yl)amino]ethanol?
The InChIKey is OAVIOZOFTHPMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c9-7-3-1-2-4-8(7)10-5-6-11/h1-3,8,10-11H,4-6,9H2.
What are the key properties of 2-[(2-aminocyclohexa-2,4-dien-1-yl)amino]ethanol?
2-[(2-aminocyclohexa-2,4-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-[(2-aminocyclohexa-2,4-dien-1-yl)amino]ethanol is sourced from PubChem (CID 141134918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).