3-(methylaminomethyl)cyclohexa-1,3-dien-1-ol

C8H13NO — CID 143349340

IUPAC3-(methylaminomethyl)cyclohexa-1,3-dien-1-ol
SMILESCNCC1=CCCC(O)=C1
InChIInChI=1S/C8H13NO/c1-9-6-7-3-2-4-8(10)5-7/h3,5,9-10H,2,4,6H2,1H3
InChIKeyXYICHXAGTHFNFJ-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.37
Rot. Bonds2

About 3-(methylaminomethyl)cyclohexa-1,3-dien-1-ol

3-(methylaminomethyl)cyclohexa-1,3-dien-1-ol (PubChem CID 143349340) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 3-(methylaminomethyl)cyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name3-(methylaminomethyl)cyclohexa-1,3-dien-1-ol
PubChem CID143349340
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name3-(methylaminomethyl)cyclohexa-1,3-dien-1-ol
SMILESCNCC1=CCCC(O)=C1
InChIInChI=1S/C8H13NO/c1-9-6-7-3-2-4-8(10)5-7/h3,5,9-10H,2,4,6H2,1H3
InChIKeyXYICHXAGTHFNFJ-UHFFFAOYSA-N
XLogP1.37
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-Methyl-1,2-dihydropyridin-5-yl)cyclohexa-1,3-dien-1-ol
CID 118548938
(1E)-1-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)buta-1,3-dien-1-ol
CID 138482575
(1Z)-1-[3,4-dimethyl-6-(methylamino)cyclohexa-2,4-dien-1-ylidene]ethanol
CID 141785750
acetylene;3-[[[(E)-but-2-enyl]amino]methyl]cyclohexa-1,3-dien-1-ol
CID 141801496
3-(Aminomethyl)cyclohexa-1,3-dien-1-ol
CID 142460282
(3Z,5Z)-4-(methylaminomethyl)hepta-1,3,5-trien-3-ol
CID 142953251
4-[2-(Methylamino)ethyl]cyclohexa-1,3-dien-1-ol
CID 143147802
(4E,6E)-8-(propylamino)octa-4,6-dien-4-ol
CID 143595513
2-[(Dimethylamino)methyl]cyclohexa-1,3-dien-1-ol
CID 145025621
1-(4-Methyl-1,2-dihydropyridin-5-yl)ethenol
CID 145471802
(E)-1-(4-ethenyl-1,2,3,6-tetrahydropyridin-5-yl)prop-1-en-2-ol
CID 146178200
(3E)-7-(methylamino)-5-methylidenehepta-1,3-dien-4-ol
CID 156874630

Frequently Asked Questions

What is the IUPAC name of 3-(methylaminomethyl)cyclohexa-1,3-dien-1-ol?
The IUPAC name of 3-(methylaminomethyl)cyclohexa-1,3-dien-1-ol (CID 143349340) is 3-(methylaminomethyl)cyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 3-(methylaminomethyl)cyclohexa-1,3-dien-1-ol?
The canonical SMILES for 3-(methylaminomethyl)cyclohexa-1,3-dien-1-ol is CNCC1=CCCC(O)=C1.
What is the InChIKey of 3-(methylaminomethyl)cyclohexa-1,3-dien-1-ol?
The InChIKey is XYICHXAGTHFNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-9-6-7-3-2-4-8(10)5-7/h3,5,9-10H,2,4,6H2,1H3.
What are the key properties of 3-(methylaminomethyl)cyclohexa-1,3-dien-1-ol?
3-(methylaminomethyl)cyclohexa-1,3-dien-1-ol has a molecular weight of 139.20 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylaminomethyl)cyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 143349340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).