5-methyl-3-(methylamino)cyclohexa-2,4-dien-1-ol

C8H13NO — CID 142019306

IUPAC5-methyl-3-(methylamino)cyclohexa-2,4-dien-1-ol
SMILESCNC1=CC(O)CC(C)=C1
InChIInChI=1S/C8H13NO/c1-6-3-7(9-2)5-8(10)4-6/h3,5,8-10H,4H2,1-2H3
InChIKeyARRKEUVIKGNWLS-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.80
Rot. Bonds1

About 5-methyl-3-(methylamino)cyclohexa-2,4-dien-1-ol

5-methyl-3-(methylamino)cyclohexa-2,4-dien-1-ol (PubChem CID 142019306) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 5-methyl-3-(methylamino)cyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name5-methyl-3-(methylamino)cyclohexa-2,4-dien-1-ol
PubChem CID142019306
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name5-methyl-3-(methylamino)cyclohexa-2,4-dien-1-ol
SMILESCNC1=CC(O)CC(C)=C1
InChIInChI=1S/C8H13NO/c1-6-3-7(9-2)5-8(10)4-6/h3,5,8-10H,4H2,1-2H3
InChIKeyARRKEUVIKGNWLS-UHFFFAOYSA-N
XLogP0.80
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 88216825
(3E)-4-(methylamino)-2-methylidenehexa-3,5-dien-1-ol
CID 89088346
(3E,5E)-5-(methylamino)octa-3,5,7-trien-2-ol
CID 90295812
[(6Z)-3-methyl-6-[1-(methylamino)ethylidene]cyclohexa-1,3-dien-1-yl]methanol
CID 91464733
(6-Methyl-1,2-dihydropyridin-4-yl)methanol
CID 117722403
(4R)-2,5-dimethyl-1,4-dihydropyridin-4-ol
CID 117903798
(Z)-4-(2,6-dimethyl-1,2-dihydropyridin-4-yl)-3-methylbut-3-en-2-ol
CID 118396522
1-(1,2-Dihydropyridin-5-yl)propan-2-ol
CID 129171628
3-Amino-5-methylcyclohexa-2,4-dien-1-ol
CID 129199714
4-(Methylamino)cyclohexa-2,4-dien-1-ol
CID 137506891
(2E,3E)-2,3-di(ethylidene)piperidin-4-ol
CID 138461324
1-[3-(Methylamino)cyclohepta-1,3,5-trien-1-yl]ethenol
CID 139471458

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(methylamino)cyclohexa-2,4-dien-1-ol?
The IUPAC name of 5-methyl-3-(methylamino)cyclohexa-2,4-dien-1-ol (CID 142019306) is 5-methyl-3-(methylamino)cyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 5-methyl-3-(methylamino)cyclohexa-2,4-dien-1-ol?
The canonical SMILES for 5-methyl-3-(methylamino)cyclohexa-2,4-dien-1-ol is CNC1=CC(O)CC(C)=C1.
What is the InChIKey of 5-methyl-3-(methylamino)cyclohexa-2,4-dien-1-ol?
The InChIKey is ARRKEUVIKGNWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-6-3-7(9-2)5-8(10)4-6/h3,5,8-10H,4H2,1-2H3.
What are the key properties of 5-methyl-3-(methylamino)cyclohexa-2,4-dien-1-ol?
5-methyl-3-(methylamino)cyclohexa-2,4-dien-1-ol has a molecular weight of 139.20 g/mol, XLogP of 0.80, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(methylamino)cyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 142019306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).