[(6Z)-3-methyl-6-[1-(methylamino)ethylidene]cyclohexa-1,3-dien-1-yl]methanol

C11H17NO — CID 91464733

IUPAC[(6Z)-3-methyl-6-[1-(methylamino)ethylidene]cyclohexa-1,3-dien-1-yl]methanol
SMILESCN/C(C)=C1/CC=C(C)C=C1CO
InChIInChI=1S/C11H17NO/c1-8-4-5-11(9(2)12-3)10(6-8)7-13/h4,6,12-13H,5,7H2,1-3H3/b11-9-
InChIKeyIECBRRLPEAKAGB-LUAWRHEFSA-N
MW179.26 g/mol
LogP1.75
Rot. Bonds2

About [(6Z)-3-methyl-6-[1-(methylamino)ethylidene]cyclohexa-1,3-dien-1-yl]methanol

[(6Z)-3-methyl-6-[1-(methylamino)ethylidene]cyclohexa-1,3-dien-1-yl]methanol (PubChem CID 91464733) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is [(6Z)-3-methyl-6-[1-(methylamino)ethylidene]cyclohexa-1,3-dien-1-yl]methanol.

Molecular Properties

Compound Name[(6Z)-3-methyl-6-[1-(methylamino)ethylidene]cyclohexa-1,3-dien-1-yl]methanol
PubChem CID91464733
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name[(6Z)-3-methyl-6-[1-(methylamino)ethylidene]cyclohexa-1,3-dien-1-yl]methanol
SMILESCN/C(C)=C1/CC=C(C)C=C1CO
InChIInChI=1S/C11H17NO/c1-8-4-5-11(9(2)12-3)10(6-8)7-13/h4,6,12-13H,5,7H2,1-3H3/b11-9-
InChIKeyIECBRRLPEAKAGB-LUAWRHEFSA-N
XLogP1.75
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [(6Z)-3-methyl-6-[1-(methylamino)ethylidene]cyclohexa-1,3-dien-1-yl]methanol 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

3-[2-(Ethylamino)cyclohexa-1,5-dien-1-yl]propan-1-ol
CID 70333084
[4-(Methylamino)cyclohexa-1,3-dien-1-yl]methanol
CID 121327599
5-Methyl-3-(methylamino)cyclohexa-2,4-dien-1-ol
CID 142019306
(2Z,4E)-5-methyl-2-(methylamino)nona-2,4-dien-1-ol
CID 142176183
(3Z,5Z)-3-ethyl-4-(ethylamino)hepta-3,5-dien-1-ol
CID 143063264
[3-(Methylamino)cyclohexa-1,3-dien-1-yl]methanol
CID 143479730
Azetidine;(2-methylcyclohexa-1,3-dien-1-yl)methanol
CID 144078912
[(6E)-6-(ethylaminomethylidene)cyclohexa-1,3-dien-1-yl]methanol;methanimine
CID 145509319
(3Z,4Z)-3-butylidene-6-(methylamino)hepta-4,6-dien-1-ol
CID 155071208
4-Methyl-2-(methylamino)-6-methylidenecyclohexa-1,3-dien-1-ol
CID 164094262
[(7E)-3-(methylamino)cycloocta-1,3,7-trien-1-yl]methanol
CID 173966139
(4Z)-5-(ethylamino)-4,7-dimethylocta-4,6-dien-1-ol
CID 143063252

Frequently Asked Questions

What is the IUPAC name of [(6Z)-3-methyl-6-[1-(methylamino)ethylidene]cyclohexa-1,3-dien-1-yl]methanol?
The IUPAC name of [(6Z)-3-methyl-6-[1-(methylamino)ethylidene]cyclohexa-1,3-dien-1-yl]methanol (CID 91464733) is [(6Z)-3-methyl-6-[1-(methylamino)ethylidene]cyclohexa-1,3-dien-1-yl]methanol.
What is the SMILES notation for [(6Z)-3-methyl-6-[1-(methylamino)ethylidene]cyclohexa-1,3-dien-1-yl]methanol?
The canonical SMILES for [(6Z)-3-methyl-6-[1-(methylamino)ethylidene]cyclohexa-1,3-dien-1-yl]methanol is CN/C(C)=C1/CC=C(C)C=C1CO.
What is the InChIKey of [(6Z)-3-methyl-6-[1-(methylamino)ethylidene]cyclohexa-1,3-dien-1-yl]methanol?
The InChIKey is IECBRRLPEAKAGB-LUAWRHEFSA-N. The full InChI is InChI=1S/C11H17NO/c1-8-4-5-11(9(2)12-3)10(6-8)7-13/h4,6,12-13H,5,7H2,1-3H3/b11-9-.
What are the key properties of [(6Z)-3-methyl-6-[1-(methylamino)ethylidene]cyclohexa-1,3-dien-1-yl]methanol?
[(6Z)-3-methyl-6-[1-(methylamino)ethylidene]cyclohexa-1,3-dien-1-yl]methanol has a molecular weight of 179.26 g/mol, XLogP of 1.75, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(6Z)-3-methyl-6-[1-(methylamino)ethylidene]cyclohexa-1,3-dien-1-yl]methanol is sourced from PubChem (CID 91464733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).