6-[[(1R)-1-phenylethyl]iminomethyl]tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-ol

C25H25NO — CID 135511984

IUPAC6-[[(1R)-1-phenylethyl]iminomethyl]tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-ol
SMILESC[C@@H](/N=C/c1c2ccc(c1O)CCc1ccc(cc1)CC2)c1ccccc1
InChIInChI=1S/C25H25NO/c1-18(21-5-3-2-4-6-21)26-17-24-22-13-11-19-7-9-20(10-8-19)12-14-23(16-15-22)25(24)27/h2-10,15-18,27H,11-14H2,1H3/b26-17+/t18-/m1/s1
InChIKeyNBISKSHDDKMNRD-WNIQNGNASA-N
MW355.48 g/mol
LogP5.46
Rot. Bonds3

About 6-[[(1R)-1-phenylethyl]iminomethyl]tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-ol

6-[[(1R)-1-phenylethyl]iminomethyl]tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-ol (PubChem CID 135511984) has the molecular formula C25H25NO and a molecular weight of 355.48 g/mol. Its IUPAC name is 6-[[(1R)-1-phenylethyl]iminomethyl]tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-ol.

Molecular Properties

Compound Name6-[[(1R)-1-phenylethyl]iminomethyl]tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-ol
PubChem CID135511984
Molecular FormulaC25H25NO
Molecular Weight355.48 g/mol
Exact Mass355.19
IUPAC Name6-[[(1R)-1-phenylethyl]iminomethyl]tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-ol
SMILESC[C@@H](/N=C/c1c2ccc(c1O)CCc1ccc(cc1)CC2)c1ccccc1
InChIInChI=1S/C25H25NO/c1-18(21-5-3-2-4-6-21)26-17-24-22-13-11-19-7-9-20(10-8-19)12-14-23(16-15-22)25(24)27/h2-10,15-18,27H,11-14H2,1H3/b26-17+/t18-/m1/s1
InChIKeyNBISKSHDDKMNRD-WNIQNGNASA-N
XLogP5.46
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.48
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[[(1R)-1-phenylethyl]iminomethyl]tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-ol?
The IUPAC name of 6-[[(1R)-1-phenylethyl]iminomethyl]tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-ol (CID 135511984) is 6-[[(1R)-1-phenylethyl]iminomethyl]tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-ol.
What is the SMILES notation for 6-[[(1R)-1-phenylethyl]iminomethyl]tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-ol?
The canonical SMILES for 6-[[(1R)-1-phenylethyl]iminomethyl]tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-ol is C[C@@H](/N=C/c1c2ccc(c1O)CCc1ccc(cc1)CC2)c1ccccc1.
What is the InChIKey of 6-[[(1R)-1-phenylethyl]iminomethyl]tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-ol?
The InChIKey is NBISKSHDDKMNRD-WNIQNGNASA-N. The full InChI is InChI=1S/C25H25NO/c1-18(21-5-3-2-4-6-21)26-17-24-22-13-11-19-7-9-20(10-8-19)12-14-23(16-15-22)25(24)27/h2-10,15-18,27H,11-14H2,1H3/b26-17+/t18-/m1/s1.
What are the key properties of 6-[[(1R)-1-phenylethyl]iminomethyl]tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-ol?
6-[[(1R)-1-phenylethyl]iminomethyl]tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-ol has a molecular weight of 355.48 g/mol, XLogP of 5.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(1R)-1-phenylethyl]iminomethyl]tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-ol is sourced from PubChem (CID 135511984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).