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

C10H18N2O2 — CID 129303960

IUPAC2-[(4-aminocyclohexa-2,4-dien-1-yl)-(2-hydroxyethyl)amino]ethanol
SMILESNC1=CCC(N(CCO)CCO)C=C1
InChIInChI=1S/C10H18N2O2/c11-9-1-3-10(4-2-9)12(5-7-13)6-8-14/h1-3,10,13-14H,4-8,11H2
InChIKeyWSGJMLJDWIDLFH-UHFFFAOYSA-N
MW198.27 g/mol
LogP-0.56
Rot. Bonds5

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

2-[(4-aminocyclohexa-2,4-dien-1-yl)-(2-hydroxyethyl)amino]ethanol (PubChem CID 129303960) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 2-[(4-aminocyclohexa-2,4-dien-1-yl)-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(4-aminocyclohexa-2,4-dien-1-yl)-(2-hydroxyethyl)amino]ethanol
PubChem CID129303960
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name2-[(4-aminocyclohexa-2,4-dien-1-yl)-(2-hydroxyethyl)amino]ethanol
SMILESNC1=CCC(N(CCO)CCO)C=C1
InChIInChI=1S/C10H18N2O2/c11-9-1-3-10(4-2-9)12(5-7-13)6-8-14/h1-3,10,13-14H,4-8,11H2
InChIKeyWSGJMLJDWIDLFH-UHFFFAOYSA-N
XLogP-0.56
TPSA69.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 5-0.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminocyclohexa-2,4-dien-1-yl)-(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[(4-aminocyclohexa-2,4-dien-1-yl)-(2-hydroxyethyl)amino]ethanol (CID 129303960) is 2-[(4-aminocyclohexa-2,4-dien-1-yl)-(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[(4-aminocyclohexa-2,4-dien-1-yl)-(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[(4-aminocyclohexa-2,4-dien-1-yl)-(2-hydroxyethyl)amino]ethanol is NC1=CCC(N(CCO)CCO)C=C1.
What is the InChIKey of 2-[(4-aminocyclohexa-2,4-dien-1-yl)-(2-hydroxyethyl)amino]ethanol?
The InChIKey is WSGJMLJDWIDLFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c11-9-1-3-10(4-2-9)12(5-7-13)6-8-14/h1-3,10,13-14H,4-8,11H2.
What are the key properties of 2-[(4-aminocyclohexa-2,4-dien-1-yl)-(2-hydroxyethyl)amino]ethanol?
2-[(4-aminocyclohexa-2,4-dien-1-yl)-(2-hydroxyethyl)amino]ethanol has a molecular weight of 198.27 g/mol, XLogP of -0.56, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-aminocyclohexa-2,4-dien-1-yl)-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 129303960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).