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

C10H18N2O — CID 142237529

IUPAC2-[(4-aminocyclohexa-2,4-dien-1-yl)-ethylamino]ethanol
SMILESCCN(CCO)C1C=CC(N)=CC1
InChIInChI=1S/C10H18N2O/c1-2-12(7-8-13)10-5-3-9(11)4-6-10/h3-5,10,13H,2,6-8,11H2,1H3
InChIKeyHHXGTWCYEQHERA-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.47
Rot. Bonds4

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

2-[(4-aminocyclohexa-2,4-dien-1-yl)-ethylamino]ethanol (PubChem CID 142237529) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 2-[(4-aminocyclohexa-2,4-dien-1-yl)-ethylamino]ethanol.

Molecular Properties

Compound Name2-[(4-aminocyclohexa-2,4-dien-1-yl)-ethylamino]ethanol
PubChem CID142237529
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name2-[(4-aminocyclohexa-2,4-dien-1-yl)-ethylamino]ethanol
SMILESCCN(CCO)C1C=CC(N)=CC1
InChIInChI=1S/C10H18N2O/c1-2-12(7-8-13)10-5-3-9(11)4-6-10/h3-5,10,13H,2,6-8,11H2,1H3
InChIKeyHHXGTWCYEQHERA-UHFFFAOYSA-N
XLogP0.47
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminocyclohexa-2,4-dien-1-yl)-ethylamino]ethanol?
The IUPAC name of 2-[(4-aminocyclohexa-2,4-dien-1-yl)-ethylamino]ethanol (CID 142237529) is 2-[(4-aminocyclohexa-2,4-dien-1-yl)-ethylamino]ethanol.
What is the SMILES notation for 2-[(4-aminocyclohexa-2,4-dien-1-yl)-ethylamino]ethanol?
The canonical SMILES for 2-[(4-aminocyclohexa-2,4-dien-1-yl)-ethylamino]ethanol is CCN(CCO)C1C=CC(N)=CC1.
What is the InChIKey of 2-[(4-aminocyclohexa-2,4-dien-1-yl)-ethylamino]ethanol?
The InChIKey is HHXGTWCYEQHERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-2-12(7-8-13)10-5-3-9(11)4-6-10/h3-5,10,13H,2,6-8,11H2,1H3.
What are the key properties of 2-[(4-aminocyclohexa-2,4-dien-1-yl)-ethylamino]ethanol?
2-[(4-aminocyclohexa-2,4-dien-1-yl)-ethylamino]ethanol has a molecular weight of 182.27 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-aminocyclohexa-2,4-dien-1-yl)-ethylamino]ethanol is sourced from PubChem (CID 142237529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).