2-(dimethylamino)-1-(2,6-dimethyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)-2-methylpropan-1-ol;zinc

C15H23NOZn — CID 20672921

IUPAC2-(dimethylamino)-1-(2,6-dimethyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)-2-methylpropan-1-ol;zinc
SMILESC=c1cc(C)c(=C(O)C(C)(C)N(C)C)c(C)c1.[Zn]
InChIInChI=1S/C15H23NO.Zn/c1-10-8-11(2)13(12(3)9-10)14(17)15(4,5)16(6)7;/h8-9,17H,1H2,2-7H3;
InChIKeyPDNGHRGZHYPBJN-UHFFFAOYSA-N
MW298.75 g/mol
LogP1.72
Rot. Bonds2

About 2-(dimethylamino)-1-(2,6-dimethyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)-2-methylpropan-1-ol;zinc

2-(dimethylamino)-1-(2,6-dimethyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)-2-methylpropan-1-ol;zinc (PubChem CID 20672921) has the molecular formula C15H23NOZn and a molecular weight of 298.75 g/mol. Its IUPAC name is 2-(dimethylamino)-1-(2,6-dimethyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)-2-methylpropan-1-ol;zinc.

Molecular Properties

Compound Name2-(dimethylamino)-1-(2,6-dimethyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)-2-methylpropan-1-ol;zinc
PubChem CID20672921
Molecular FormulaC15H23NOZn
Molecular Weight298.75 g/mol
Exact Mass297.11
IUPAC Name2-(dimethylamino)-1-(2,6-dimethyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)-2-methylpropan-1-ol;zinc
SMILESC=c1cc(C)c(=C(O)C(C)(C)N(C)C)c(C)c1.[Zn]
InChIInChI=1S/C15H23NO.Zn/c1-10-8-11(2)13(12(3)9-10)14(17)15(4,5)16(6)7;/h8-9,17H,1H2,2-7H3;
InChIKeyPDNGHRGZHYPBJN-UHFFFAOYSA-N
XLogP1.72
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.75
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(dimethylamino)-1-(2,6-dimethyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)-2-methylpropan-1-ol;zinc 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

CID 20672908
CID 20672908
6-(Diethylamino)-3-methylcyclohexa-1,3-dien-1-ol
CID 142862938
Dichloromethane;2-(dimethylamino)-1-(2,6-dimethyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)-2-methylpropan-1-ol;ethane;ZINC
CID 157931949
2-(Dimethylamino)-1-(2,6-dimethyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)-2-methylpropan-1-ol;ethane;propane;ZINC
CID 162065137
2-(Dimethylamino)-1-(2,6-dimethyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)-2-methylpropan-1-ol
CID 20672922

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-(2,6-dimethyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)-2-methylpropan-1-ol;zinc?
The IUPAC name of 2-(dimethylamino)-1-(2,6-dimethyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)-2-methylpropan-1-ol;zinc (CID 20672921) is 2-(dimethylamino)-1-(2,6-dimethyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)-2-methylpropan-1-ol;zinc.
What is the SMILES notation for 2-(dimethylamino)-1-(2,6-dimethyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)-2-methylpropan-1-ol;zinc?
The canonical SMILES for 2-(dimethylamino)-1-(2,6-dimethyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)-2-methylpropan-1-ol;zinc is C=c1cc(C)c(=C(O)C(C)(C)N(C)C)c(C)c1.[Zn].
What is the InChIKey of 2-(dimethylamino)-1-(2,6-dimethyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)-2-methylpropan-1-ol;zinc?
The InChIKey is PDNGHRGZHYPBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO.Zn/c1-10-8-11(2)13(12(3)9-10)14(17)15(4,5)16(6)7;/h8-9,17H,1H2,2-7H3;.
What are the key properties of 2-(dimethylamino)-1-(2,6-dimethyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)-2-methylpropan-1-ol;zinc?
2-(dimethylamino)-1-(2,6-dimethyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)-2-methylpropan-1-ol;zinc has a molecular weight of 298.75 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-(2,6-dimethyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)-2-methylpropan-1-ol;zinc is sourced from PubChem (CID 20672921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).