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

C10H17NO — CID 140975716

IUPAC2-[(1,6-dimethylcyclohexa-2,4-dien-1-yl)amino]ethanol
SMILESCC1C=CC=CC1(C)NCCO
InChIInChI=1S/C10H17NO/c1-9-5-3-4-6-10(9,2)11-7-8-12/h3-6,9,11-12H,7-8H2,1-2H3
InChIKeyNUBZBHKHSIAXFR-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.09
Rot. Bonds3

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

2-[(1,6-dimethylcyclohexa-2,4-dien-1-yl)amino]ethanol (PubChem CID 140975716) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 2-[(1,6-dimethylcyclohexa-2,4-dien-1-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(1,6-dimethylcyclohexa-2,4-dien-1-yl)amino]ethanol
PubChem CID140975716
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name2-[(1,6-dimethylcyclohexa-2,4-dien-1-yl)amino]ethanol
SMILESCC1C=CC=CC1(C)NCCO
InChIInChI=1S/C10H17NO/c1-9-5-3-4-6-10(9,2)11-7-8-12/h3-6,9,11-12H,7-8H2,1-2H3
InChIKeyNUBZBHKHSIAXFR-UHFFFAOYSA-N
XLogP1.09
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(1,6-dimethylcyclohexa-2,4-dien-1-yl)amino]ethanol?
The IUPAC name of 2-[(1,6-dimethylcyclohexa-2,4-dien-1-yl)amino]ethanol (CID 140975716) is 2-[(1,6-dimethylcyclohexa-2,4-dien-1-yl)amino]ethanol.
What is the SMILES notation for 2-[(1,6-dimethylcyclohexa-2,4-dien-1-yl)amino]ethanol?
The canonical SMILES for 2-[(1,6-dimethylcyclohexa-2,4-dien-1-yl)amino]ethanol is CC1C=CC=CC1(C)NCCO.
What is the InChIKey of 2-[(1,6-dimethylcyclohexa-2,4-dien-1-yl)amino]ethanol?
The InChIKey is NUBZBHKHSIAXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-9-5-3-4-6-10(9,2)11-7-8-12/h3-6,9,11-12H,7-8H2,1-2H3.
What are the key properties of 2-[(1,6-dimethylcyclohexa-2,4-dien-1-yl)amino]ethanol?
2-[(1,6-dimethylcyclohexa-2,4-dien-1-yl)amino]ethanol has a molecular weight of 167.25 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,6-dimethylcyclohexa-2,4-dien-1-yl)amino]ethanol is sourced from PubChem (CID 140975716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).