[7,7-dimethyl-2-(pyridin-2-ylmethylimino)-1-bicyclo[2.2.1]heptanyl]-diphenylmethanol

C28H30N2O — CID 135016842

IUPAC[7,7-dimethyl-2-(pyridin-2-ylmethylimino)-1-bicyclo[2.2.1]heptanyl]-diphenylmethanol
SMILESCC1(C)C2CCC1(C(O)(c1ccccc1)c1ccccc1)/C(=N/Cc1ccccn1)C2
InChIInChI=1S/C28H30N2O/c1-26(2)23-16-17-27(26,25(19-23)30-20-24-15-9-10-18-29-24)28(31,21-11-5-3-6-12-21)22-13-7-4-8-14-22/h3-15,18,23,31H,16-17,19-20H2,1-2H3/b30-25+
InChIKeyRFMWZCAPLHJBCR-QCWLDUFUSA-N
MW410.56 g/mol
LogP5.78
Rot. Bonds5

About [7,7-dimethyl-2-(pyridin-2-ylmethylimino)-1-bicyclo[2.2.1]heptanyl]-diphenylmethanol

[7,7-dimethyl-2-(pyridin-2-ylmethylimino)-1-bicyclo[2.2.1]heptanyl]-diphenylmethanol (PubChem CID 135016842) has the molecular formula C28H30N2O and a molecular weight of 410.56 g/mol. Its IUPAC name is [7,7-dimethyl-2-(pyridin-2-ylmethylimino)-1-bicyclo[2.2.1]heptanyl]-diphenylmethanol.

Molecular Properties

Compound Name[7,7-dimethyl-2-(pyridin-2-ylmethylimino)-1-bicyclo[2.2.1]heptanyl]-diphenylmethanol
PubChem CID135016842
Molecular FormulaC28H30N2O
Molecular Weight410.56 g/mol
Exact Mass410.24
IUPAC Name[7,7-dimethyl-2-(pyridin-2-ylmethylimino)-1-bicyclo[2.2.1]heptanyl]-diphenylmethanol
SMILESCC1(C)C2CCC1(C(O)(c1ccccc1)c1ccccc1)/C(=N/Cc1ccccn1)C2
InChIInChI=1S/C28H30N2O/c1-26(2)23-16-17-27(26,25(19-23)30-20-24-15-9-10-18-29-24)28(31,21-11-5-3-6-12-21)22-13-7-4-8-14-22/h3-15,18,23,31H,16-17,19-20H2,1-2H3/b30-25+
InChIKeyRFMWZCAPLHJBCR-QCWLDUFUSA-N
XLogP5.78
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.56
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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alpha,alpha-Diphenyl-2-pyridineethanol
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CID 71470550
1,1-Diphenyl-2-(spiro[cyclopropane-1,5'-indeno[1,2-b]pyridin]-2-yl)ethan-1-ol
CID 3091502
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CID 44426822
4-Phenyl-1-(phenyl(pyridin-3-yl)methyl)piperidin-4-ol
CID 44426823
(8R,9S,10R,13S,14S,17R)-10,13-dimethyl-17-(pyridin-2-ylmethyl)-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-ol
CID 66574334
(2R)-2-[4-[1-[cyclopropyl-(4-pyridin-2-ylcyclohexyl)amino]ethenyl]phenyl]-1,1,1-trifluoropropan-2-ol
CID 70683409
trans-(1S,3R)-1-pyridin-2-yl-3-[4-(trifluoromethyl)phenyl]cyclopentan-1-ol
CID 127043869

Frequently Asked Questions

What is the IUPAC name of [7,7-dimethyl-2-(pyridin-2-ylmethylimino)-1-bicyclo[2.2.1]heptanyl]-diphenylmethanol?
The IUPAC name of [7,7-dimethyl-2-(pyridin-2-ylmethylimino)-1-bicyclo[2.2.1]heptanyl]-diphenylmethanol (CID 135016842) is [7,7-dimethyl-2-(pyridin-2-ylmethylimino)-1-bicyclo[2.2.1]heptanyl]-diphenylmethanol.
What is the SMILES notation for [7,7-dimethyl-2-(pyridin-2-ylmethylimino)-1-bicyclo[2.2.1]heptanyl]-diphenylmethanol?
The canonical SMILES for [7,7-dimethyl-2-(pyridin-2-ylmethylimino)-1-bicyclo[2.2.1]heptanyl]-diphenylmethanol is CC1(C)C2CCC1(C(O)(c1ccccc1)c1ccccc1)/C(=N/Cc1ccccn1)C2.
What is the InChIKey of [7,7-dimethyl-2-(pyridin-2-ylmethylimino)-1-bicyclo[2.2.1]heptanyl]-diphenylmethanol?
The InChIKey is RFMWZCAPLHJBCR-QCWLDUFUSA-N. The full InChI is InChI=1S/C28H30N2O/c1-26(2)23-16-17-27(26,25(19-23)30-20-24-15-9-10-18-29-24)28(31,21-11-5-3-6-12-21)22-13-7-4-8-14-22/h3-15,18,23,31H,16-17,19-20H2,1-2H3/b30-25+.
What are the key properties of [7,7-dimethyl-2-(pyridin-2-ylmethylimino)-1-bicyclo[2.2.1]heptanyl]-diphenylmethanol?
[7,7-dimethyl-2-(pyridin-2-ylmethylimino)-1-bicyclo[2.2.1]heptanyl]-diphenylmethanol has a molecular weight of 410.56 g/mol, XLogP of 5.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [7,7-dimethyl-2-(pyridin-2-ylmethylimino)-1-bicyclo[2.2.1]heptanyl]-diphenylmethanol is sourced from PubChem (CID 135016842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).