2-[(6-amino-6-methylcyclohexa-2,4-dien-1-yl)-ethylamino]ethanol

C11H20N2O — CID 67731704

IUPAC2-[(6-amino-6-methylcyclohexa-2,4-dien-1-yl)-ethylamino]ethanol
SMILESCCN(CCO)C1C=CC=CC1(C)N
InChIInChI=1S/C11H20N2O/c1-3-13(8-9-14)10-6-4-5-7-11(10,2)12/h4-7,10,14H,3,8-9,12H2,1-2H3
InChIKeyUONQWQHIWREGNO-UHFFFAOYSA-N
MW196.29 g/mol
LogP0.51
Rot. Bonds4

About 2-[(6-amino-6-methylcyclohexa-2,4-dien-1-yl)-ethylamino]ethanol

2-[(6-amino-6-methylcyclohexa-2,4-dien-1-yl)-ethylamino]ethanol (PubChem CID 67731704) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-[(6-amino-6-methylcyclohexa-2,4-dien-1-yl)-ethylamino]ethanol.

Molecular Properties

Compound Name2-[(6-amino-6-methylcyclohexa-2,4-dien-1-yl)-ethylamino]ethanol
PubChem CID67731704
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name2-[(6-amino-6-methylcyclohexa-2,4-dien-1-yl)-ethylamino]ethanol
SMILESCCN(CCO)C1C=CC=CC1(C)N
InChIInChI=1S/C11H20N2O/c1-3-13(8-9-14)10-6-4-5-7-11(10,2)12/h4-7,10,14H,3,8-9,12H2,1-2H3
InChIKeyUONQWQHIWREGNO-UHFFFAOYSA-N
XLogP0.51
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-6-methylcyclohexa-2,4-dien-1-yl)-ethylamino]ethanol?
The IUPAC name of 2-[(6-amino-6-methylcyclohexa-2,4-dien-1-yl)-ethylamino]ethanol (CID 67731704) is 2-[(6-amino-6-methylcyclohexa-2,4-dien-1-yl)-ethylamino]ethanol.
What is the SMILES notation for 2-[(6-amino-6-methylcyclohexa-2,4-dien-1-yl)-ethylamino]ethanol?
The canonical SMILES for 2-[(6-amino-6-methylcyclohexa-2,4-dien-1-yl)-ethylamino]ethanol is CCN(CCO)C1C=CC=CC1(C)N.
What is the InChIKey of 2-[(6-amino-6-methylcyclohexa-2,4-dien-1-yl)-ethylamino]ethanol?
The InChIKey is UONQWQHIWREGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-3-13(8-9-14)10-6-4-5-7-11(10,2)12/h4-7,10,14H,3,8-9,12H2,1-2H3.
What are the key properties of 2-[(6-amino-6-methylcyclohexa-2,4-dien-1-yl)-ethylamino]ethanol?
2-[(6-amino-6-methylcyclohexa-2,4-dien-1-yl)-ethylamino]ethanol has a molecular weight of 196.29 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-6-methylcyclohexa-2,4-dien-1-yl)-ethylamino]ethanol is sourced from PubChem (CID 67731704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).