4-amino-2-methyl-3,6-dimethylidenecyclohexa-1,4-dien-1-ol;ethane

C11H17NO — CID 143820253

IUPAC4-amino-2-methyl-3,6-dimethylidenecyclohexa-1,4-dien-1-ol;ethane
SMILESC=c1cc(N)c(=C)c(C)c1O.CC
InChIInChI=1S/C9H11NO.C2H6/c1-5-4-8(10)6(2)7(3)9(5)11;1-2/h4,11H,1-2,10H2,3H3;1-2H3
InChIKeyRXXAYYFDNYKWAZ-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.13
Rot. Bonds

About 4-amino-2-methyl-3,6-dimethylidenecyclohexa-1,4-dien-1-ol;ethane

4-amino-2-methyl-3,6-dimethylidenecyclohexa-1,4-dien-1-ol;ethane (PubChem CID 143820253) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 4-amino-2-methyl-3,6-dimethylidenecyclohexa-1,4-dien-1-ol;ethane.

Molecular Properties

Compound Name4-amino-2-methyl-3,6-dimethylidenecyclohexa-1,4-dien-1-ol;ethane
PubChem CID143820253
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name4-amino-2-methyl-3,6-dimethylidenecyclohexa-1,4-dien-1-ol;ethane
SMILESC=c1cc(N)c(=C)c(C)c1O.CC
InChIInChI=1S/C9H11NO.C2H6/c1-5-4-8(10)6(2)7(3)9(5)11;1-2/h4,11H,1-2,10H2,3H3;1-2H3
InChIKeyRXXAYYFDNYKWAZ-UHFFFAOYSA-N
XLogP1.13
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

3-Amino-6-methylidenecyclohexa-1,3-dien-1-ol
CID 70526466
(3E,5Z)-6-amino-2,4-dimethylhepta-1,3,5-trien-3-ol
CID 88226427
(2E,4E)-4-amino-7-methylocta-2,4,7-trien-3-ol
CID 89010550
(3E,4Z)-2-amino-3-(1-aminobutylidene)-5-methylhepta-4,6-dien-2-ol
CID 89017359
(5Z)-5-[(Z)-3-aminobut-2-enylidene]-6-methylidenecyclohexa-1,3-dien-1-ol
CID 89047516
(4E,6E)-6-amino-2,2-dimethyl-3-methylideneocta-4,6-dien-4-ol
CID 126755582
(3E,4Z)-2-amino-3-ethylidene-4-prop-2-enylidenecyclohexa-1,5-dien-1-ol
CID 134404751
(3E,4Z,7Z,9Z)-5-amino-3-ethylidene-8-methyl-6-methylideneundeca-1,4,7,9-tetraen-2-ol
CID 137503908
4-amino-8H-benzo[7]annulen-1-ol
CID 142801321
(2E,4Z)-3-amino-5-methylocta-2,4,7-trien-4-ol;ethane
CID 144037301
(5E,6E)-5-(1-aminoethylidene)-6-prop-2-enylidenecyclohexa-1,3-dien-1-ol;ethane
CID 144298178
1-(6-Aminocyclohexa-1,5-dien-1-yl)ethanol
CID 144395967

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methyl-3,6-dimethylidenecyclohexa-1,4-dien-1-ol;ethane?
The IUPAC name of 4-amino-2-methyl-3,6-dimethylidenecyclohexa-1,4-dien-1-ol;ethane (CID 143820253) is 4-amino-2-methyl-3,6-dimethylidenecyclohexa-1,4-dien-1-ol;ethane.
What is the SMILES notation for 4-amino-2-methyl-3,6-dimethylidenecyclohexa-1,4-dien-1-ol;ethane?
The canonical SMILES for 4-amino-2-methyl-3,6-dimethylidenecyclohexa-1,4-dien-1-ol;ethane is C=c1cc(N)c(=C)c(C)c1O.CC.
What is the InChIKey of 4-amino-2-methyl-3,6-dimethylidenecyclohexa-1,4-dien-1-ol;ethane?
The InChIKey is RXXAYYFDNYKWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO.C2H6/c1-5-4-8(10)6(2)7(3)9(5)11;1-2/h4,11H,1-2,10H2,3H3;1-2H3.
What are the key properties of 4-amino-2-methyl-3,6-dimethylidenecyclohexa-1,4-dien-1-ol;ethane?
4-amino-2-methyl-3,6-dimethylidenecyclohexa-1,4-dien-1-ol;ethane has a molecular weight of 179.26 g/mol, XLogP of 1.13, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methyl-3,6-dimethylidenecyclohexa-1,4-dien-1-ol;ethane is sourced from PubChem (CID 143820253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).