1-[(1-hydroxy-2,4-dimethyl-6-methylidenecyclohexa-2,4-dien-1-yl)-methylamino]-2,4-dimethyl-6-methylidenecyclohexa-2,4-dien-1-ol

C19H25NO2 — CID 68974901

IUPAC1-[(1-hydroxy-2,4-dimethyl-6-methylidenecyclohexa-2,4-dien-1-yl)-methylamino]-2,4-dimethyl-6-methylidenecyclohexa-2,4-dien-1-ol
SMILESC=C1C=C(C)C=C(C)C1(O)N(C)C1(O)C(=C)C=C(C)C=C1C
InChIInChI=1S/C19H25NO2/c1-12-8-14(3)18(21,15(4)9-12)20(7)19(22)16(5)10-13(2)11-17(19)6/h8-11,21-22H,3,5H2,1-2,4,6-7H3
InChIKeyRZIFKMJGGFGJHO-UHFFFAOYSA-N
MW299.41 g/mol
LogP3.22
Rot. Bonds2

About 1-[(1-hydroxy-2,4-dimethyl-6-methylidenecyclohexa-2,4-dien-1-yl)-methylamino]-2,4-dimethyl-6-methylidenecyclohexa-2,4-dien-1-ol

1-[(1-hydroxy-2,4-dimethyl-6-methylidenecyclohexa-2,4-dien-1-yl)-methylamino]-2,4-dimethyl-6-methylidenecyclohexa-2,4-dien-1-ol (PubChem CID 68974901) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is 1-[(1-hydroxy-2,4-dimethyl-6-methylidenecyclohexa-2,4-dien-1-yl)-methylamino]-2,4-dimethyl-6-methylidenecyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name1-[(1-hydroxy-2,4-dimethyl-6-methylidenecyclohexa-2,4-dien-1-yl)-methylamino]-2,4-dimethyl-6-methylidenecyclohexa-2,4-dien-1-ol
PubChem CID68974901
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name1-[(1-hydroxy-2,4-dimethyl-6-methylidenecyclohexa-2,4-dien-1-yl)-methylamino]-2,4-dimethyl-6-methylidenecyclohexa-2,4-dien-1-ol
SMILESC=C1C=C(C)C=C(C)C1(O)N(C)C1(O)C(=C)C=C(C)C=C1C
InChIInChI=1S/C19H25NO2/c1-12-8-14(3)18(21,15(4)9-12)20(7)19(22)16(5)10-13(2)11-17(19)6/h8-11,21-22H,3,5H2,1-2,4,6-7H3
InChIKeyRZIFKMJGGFGJHO-UHFFFAOYSA-N
XLogP3.22
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-hydroxy-2,4-dimethyl-6-methylidenecyclohexa-2,4-dien-1-yl)-methylamino]-2,4-dimethyl-6-methylidenecyclohexa-2,4-dien-1-ol?
The IUPAC name of 1-[(1-hydroxy-2,4-dimethyl-6-methylidenecyclohexa-2,4-dien-1-yl)-methylamino]-2,4-dimethyl-6-methylidenecyclohexa-2,4-dien-1-ol (CID 68974901) is 1-[(1-hydroxy-2,4-dimethyl-6-methylidenecyclohexa-2,4-dien-1-yl)-methylamino]-2,4-dimethyl-6-methylidenecyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 1-[(1-hydroxy-2,4-dimethyl-6-methylidenecyclohexa-2,4-dien-1-yl)-methylamino]-2,4-dimethyl-6-methylidenecyclohexa-2,4-dien-1-ol?
The canonical SMILES for 1-[(1-hydroxy-2,4-dimethyl-6-methylidenecyclohexa-2,4-dien-1-yl)-methylamino]-2,4-dimethyl-6-methylidenecyclohexa-2,4-dien-1-ol is C=C1C=C(C)C=C(C)C1(O)N(C)C1(O)C(=C)C=C(C)C=C1C.
What is the InChIKey of 1-[(1-hydroxy-2,4-dimethyl-6-methylidenecyclohexa-2,4-dien-1-yl)-methylamino]-2,4-dimethyl-6-methylidenecyclohexa-2,4-dien-1-ol?
The InChIKey is RZIFKMJGGFGJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-12-8-14(3)18(21,15(4)9-12)20(7)19(22)16(5)10-13(2)11-17(19)6/h8-11,21-22H,3,5H2,1-2,4,6-7H3.
What are the key properties of 1-[(1-hydroxy-2,4-dimethyl-6-methylidenecyclohexa-2,4-dien-1-yl)-methylamino]-2,4-dimethyl-6-methylidenecyclohexa-2,4-dien-1-ol?
1-[(1-hydroxy-2,4-dimethyl-6-methylidenecyclohexa-2,4-dien-1-yl)-methylamino]-2,4-dimethyl-6-methylidenecyclohexa-2,4-dien-1-ol has a molecular weight of 299.41 g/mol, XLogP of 3.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-hydroxy-2,4-dimethyl-6-methylidenecyclohexa-2,4-dien-1-yl)-methylamino]-2,4-dimethyl-6-methylidenecyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 68974901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).