2-cyclohexa-1,5-dien-1-yl-2-(methylamino)ethanol

C9H15NO — CID 123265532

IUPAC2-cyclohexa-1,5-dien-1-yl-2-(methylamino)ethanol
SMILESCNC(CO)C1=CCCC=C1
InChIInChI=1S/C9H15NO/c1-10-9(7-11)8-5-3-2-4-6-8/h3,5-6,9-11H,2,4,7H2,1H3
InChIKeyXISMMRUAZAQFEE-UHFFFAOYSA-N
MW153.22 g/mol
LogP0.84
Rot. Bonds3

About 2-cyclohexa-1,5-dien-1-yl-2-(methylamino)ethanol

2-cyclohexa-1,5-dien-1-yl-2-(methylamino)ethanol (PubChem CID 123265532) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 2-cyclohexa-1,5-dien-1-yl-2-(methylamino)ethanol.

Molecular Properties

Compound Name2-cyclohexa-1,5-dien-1-yl-2-(methylamino)ethanol
PubChem CID123265532
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name2-cyclohexa-1,5-dien-1-yl-2-(methylamino)ethanol
SMILESCNC(CO)C1=CCCC=C1
InChIInChI=1S/C9H15NO/c1-10-9(7-11)8-5-3-2-4-6-8/h3,5-6,9-11H,2,4,7H2,1H3
InChIKeyXISMMRUAZAQFEE-UHFFFAOYSA-N
XLogP0.84
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-cyclohexa-1,5-dien-1-yl-2-(methylamino)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1,2,3,6-Tetrahydropyridin-2-yl)methanol
CID 5255586
2-[(3S)-3-fluorocyclohexa-1,5-dien-1-yl]-1-(methylamino)ethanol
CID 89352308
2-(Cyclohexa-1,5-dien-1-ylmethylamino)-4,4-difluorobutan-1-ol
CID 162570733
4-[(1-Hydroxybutan-2-ylamino)methyl]cyclohexa-2,4-diene-1-thione
CID 20456616
2-(Cyclohexa-1,5-dien-1-ylmethylamino)ethanol
CID 67765891
2-Amino-2-(3-methylcyclohexa-1,5-dien-1-yl)ethanol
CID 68098762
2-[(3-Methylcyclohexa-1,5-dien-1-yl)methylamino]ethanol
CID 68176813
(2R)-2-amino-2-cyclohexa-1,5-dien-1-ylethanol
CID 68177021
2-[(1-Methylcyclohexa-2,4-dien-1-yl)amino]ethanol
CID 70006133
(Z)-1-(ethylamino)-4-[6-(methylamino)cyclohexa-1,3-dien-1-yl]but-3-en-1-ol
CID 70914779
2-Amino-2-cyclohexa-1,5-dien-1-ylethanol
CID 77417632
[(2S)-3,5-dimethyl-1,2-dihydropyridin-2-yl]methanol
CID 88975943

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-1,5-dien-1-yl-2-(methylamino)ethanol?
The IUPAC name of 2-cyclohexa-1,5-dien-1-yl-2-(methylamino)ethanol (CID 123265532) is 2-cyclohexa-1,5-dien-1-yl-2-(methylamino)ethanol.
What is the SMILES notation for 2-cyclohexa-1,5-dien-1-yl-2-(methylamino)ethanol?
The canonical SMILES for 2-cyclohexa-1,5-dien-1-yl-2-(methylamino)ethanol is CNC(CO)C1=CCCC=C1.
What is the InChIKey of 2-cyclohexa-1,5-dien-1-yl-2-(methylamino)ethanol?
The InChIKey is XISMMRUAZAQFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-10-9(7-11)8-5-3-2-4-6-8/h3,5-6,9-11H,2,4,7H2,1H3.
What are the key properties of 2-cyclohexa-1,5-dien-1-yl-2-(methylamino)ethanol?
2-cyclohexa-1,5-dien-1-yl-2-(methylamino)ethanol has a molecular weight of 153.22 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-1,5-dien-1-yl-2-(methylamino)ethanol is sourced from PubChem (CID 123265532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).