4-[(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)methyl]oxan-4-ol

C21H25NO2 — CID 110010421

IUPAC4-[(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)methyl]oxan-4-ol
SMILESOC1(CNC2c3ccccc3CCc3ccccc32)CCOCC1
InChIInChI=1S/C21H25NO2/c23-21(11-13-24-14-12-21)15-22-20-18-7-3-1-5-16(18)9-10-17-6-2-4-8-19(17)20/h1-8,20,22-23H,9-15H2
InChIKeyOWCRVMVDMQAMMM-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.01
Rot. Bonds3

About 4-[(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)methyl]oxan-4-ol

4-[(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)methyl]oxan-4-ol (PubChem CID 110010421) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 4-[(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)methyl]oxan-4-ol
PubChem CID110010421
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC Name4-[(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)methyl]oxan-4-ol
SMILESOC1(CNC2c3ccccc3CCc3ccccc32)CCOCC1
InChIInChI=1S/C21H25NO2/c23-21(11-13-24-14-12-21)15-22-20-18-7-3-1-5-16(18)9-10-17-6-2-4-8-19(17)20/h1-8,20,22-23H,9-15H2
InChIKeyOWCRVMVDMQAMMM-UHFFFAOYSA-N
XLogP3.01
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)methyl]oxan-4-ol with MolForge

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Related Compounds

4-[(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)methyl]oxan-4-ol
CID 81131273
4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]oxan-4-ol
CID 81130670
4-[[[3-(2-fluorophenyl)cyclobutyl]amino]methyl]oxan-4-ol
CID 81131280
4-[[[3-(2-bromophenyl)cyclobutyl]amino]methyl]oxan-4-ol
CID 81131369
1-[(2,3-dihydro-1H-inden-1-ylamino)methyl]cyclohexan-1-ol
CID 54937894
3-[(3,4-dihydro-2H-thiochromen-4-ylamino)methyl]oxolan-3-ol
CID 84595637
1-(1-cyclohexyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(4-hydroxyoxan-4-yl)methylamino]ethanone
CID 59396279
4-[[(2-hydroxyphenyl)methylamino]methyl]oxan-4-ol
CID 78929051
3-[[[3-(2-chlorophenyl)cyclobutyl]amino]methyl]oxolan-3-ol
CID 106099993
(3R)-3-[(9H-fluoren-9-ylamino)methyl]thiolan-3-ol
CID 99852915
4-[(3,4-dihydro-1H-isochromene-1-carbonylamino)methyl]oxane-4-carboxylic acid
CID 120541706
N-[(4-hydroxyoxan-4-yl)methyl]-2-phenylacetamide
CID 79038917

Frequently Asked Questions

What is the IUPAC name of 4-[(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)methyl]oxan-4-ol?
The IUPAC name of 4-[(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)methyl]oxan-4-ol (CID 110010421) is 4-[(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)methyl]oxan-4-ol.
What is the SMILES notation for 4-[(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)methyl]oxan-4-ol?
The canonical SMILES for 4-[(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)methyl]oxan-4-ol is OC1(CNC2c3ccccc3CCc3ccccc32)CCOCC1.
What is the InChIKey of 4-[(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)methyl]oxan-4-ol?
The InChIKey is OWCRVMVDMQAMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2/c23-21(11-13-24-14-12-21)15-22-20-18-7-3-1-5-16(18)9-10-17-6-2-4-8-19(17)20/h1-8,20,22-23H,9-15H2.
What are the key properties of 4-[(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)methyl]oxan-4-ol?
4-[(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)methyl]oxan-4-ol has a molecular weight of 323.44 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)methyl]oxan-4-ol is sourced from PubChem (CID 110010421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).