[methyl-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]amino]methanol

C20H23NO — CID 54331708

IUPAC[methyl-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]amino]methanol
SMILESCN(CO)CCC=C1c2ccccc2CCc2ccccc21
InChIInChI=1S/C20H23NO/c1-21(15-22)14-6-11-20-18-9-4-2-7-16(18)12-13-17-8-3-5-10-19(17)20/h2-5,7-11,22H,6,12-15H2,1H3
InChIKeySYUJOLQSKQWVHV-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.49
Rot. Bonds4

About [methyl-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]amino]methanol

[methyl-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]amino]methanol (PubChem CID 54331708) has the molecular formula C20H23NO and a molecular weight of 293.41 g/mol. Its IUPAC name is [methyl-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]amino]methanol.

Molecular Properties

Compound Name[methyl-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]amino]methanol
PubChem CID54331708
Molecular FormulaC20H23NO
Molecular Weight293.41 g/mol
Exact Mass293.18
IUPAC Name[methyl-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]amino]methanol
SMILESCN(CO)CCC=C1c2ccccc2CCc2ccccc21
InChIInChI=1S/C20H23NO/c1-21(15-22)14-6-11-20-18-9-4-2-7-16(18)12-13-17-8-3-5-10-19(17)20/h2-5,7-11,22H,6,12-15H2,1H3
InChIKeySYUJOLQSKQWVHV-UHFFFAOYSA-N
XLogP3.49
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'styrene_A(13)', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [methyl-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]amino]methanol?
The IUPAC name of [methyl-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]amino]methanol (CID 54331708) is [methyl-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]amino]methanol.
What is the SMILES notation for [methyl-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]amino]methanol?
The canonical SMILES for [methyl-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]amino]methanol is CN(CO)CCC=C1c2ccccc2CCc2ccccc21.
What is the InChIKey of [methyl-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]amino]methanol?
The InChIKey is SYUJOLQSKQWVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO/c1-21(15-22)14-6-11-20-18-9-4-2-7-16(18)12-13-17-8-3-5-10-19(17)20/h2-5,7-11,22H,6,12-15H2,1H3.
What are the key properties of [methyl-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]amino]methanol?
[methyl-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]amino]methanol has a molecular weight of 293.41 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [methyl-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]amino]methanol is sourced from PubChem (CID 54331708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).