[(1S,4R)-2-benzylimino-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methanol

C17H23NO — CID 10244209

IUPAC[(1S,4R)-2-benzylimino-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methanol
SMILESCC1(C)[C@@H]2CC[C@@]1(CO)/C(=N/Cc1ccccc1)C2
InChIInChI=1S/C17H23NO/c1-16(2)14-8-9-17(16,12-19)15(10-14)18-11-13-6-4-3-5-7-13/h3-7,14,19H,8-12H2,1-2H3/b18-15+/t14-,17-/m1/s1
InChIKeyOSVQRGXMOJRNDF-STPQTROMSA-N
MW257.38 g/mol
LogP3.45
Rot. Bonds3

About [(1S,4R)-2-benzylimino-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methanol

[(1S,4R)-2-benzylimino-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methanol (PubChem CID 10244209) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is [(1S,4R)-2-benzylimino-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methanol.

Molecular Properties

Compound Name[(1S,4R)-2-benzylimino-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methanol
PubChem CID10244209
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name[(1S,4R)-2-benzylimino-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methanol
SMILESCC1(C)[C@@H]2CC[C@@]1(CO)/C(=N/Cc1ccccc1)C2
InChIInChI=1S/C17H23NO/c1-16(2)14-8-9-17(16,12-19)15(10-14)18-11-13-6-4-3-5-7-13/h3-7,14,19H,8-12H2,1-2H3/b18-15+/t14-,17-/m1/s1
InChIKeyOSVQRGXMOJRNDF-STPQTROMSA-N
XLogP3.45
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-7,7-dimethyl-2-methylidenebicyclo[2.2.1]heptane
CID 166504835
[(1S,2Z,4R)-2-(diphenylhydrazinylidene)-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methanesulfonic acid
CID 7448551
7,7-dimethyl-2-(pyridin-2-ylmethylimino)bicyclo[2.2.1]heptane-1-carboxylic acid
CID 134940270
(1S,4R)-7,7-dimethyl-2-(pyridin-2-ylmethylimino)bicyclo[2.2.1]heptane-1-carboxylic acid
CID 101431000
1-benzyl-3-[(E)-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]thiourea
CID 8746915
7,7-dimethyl-1-(phenoxymethyl)bicyclo[2.2.1]heptan-2-one
CID 174371835
(1S,4R)-7,7-dimethyl-1-(phenylselanylmethyl)bicyclo[2.2.1]heptan-2-one
CID 11404028
1-[(1S,4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]-N-[(2S)-2-hydroxy-3-phenylpropyl]methanesulfonamide
CID 100834467
(2R)-1-[4-(2-phenylethyl)piperazine-1,4-diium-1-yl]-3-[(Z)-[(1R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]oxypropan-2-ol
CID 23375786
[(1R,4R)-7,7-dimethyl-2-[(1R)-1-phenylethyl]imino-1-bicyclo[2.2.1]heptanyl]-diphenylmethanol
CID 101415698
benzoic acid;(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonic acid
CID 161349813
(1S,4R)-1-[[(1R,3R)-3-hydroxy-1,3-diphenylpropyl]sulfanylmethyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-one
CID 15806527

Frequently Asked Questions

What is the IUPAC name of [(1S,4R)-2-benzylimino-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methanol?
The IUPAC name of [(1S,4R)-2-benzylimino-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methanol (CID 10244209) is [(1S,4R)-2-benzylimino-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methanol.
What is the SMILES notation for [(1S,4R)-2-benzylimino-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methanol?
The canonical SMILES for [(1S,4R)-2-benzylimino-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methanol is CC1(C)[C@@H]2CC[C@@]1(CO)/C(=N/Cc1ccccc1)C2.
What is the InChIKey of [(1S,4R)-2-benzylimino-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methanol?
The InChIKey is OSVQRGXMOJRNDF-STPQTROMSA-N. The full InChI is InChI=1S/C17H23NO/c1-16(2)14-8-9-17(16,12-19)15(10-14)18-11-13-6-4-3-5-7-13/h3-7,14,19H,8-12H2,1-2H3/b18-15+/t14-,17-/m1/s1.
What are the key properties of [(1S,4R)-2-benzylimino-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methanol?
[(1S,4R)-2-benzylimino-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methanol has a molecular weight of 257.38 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,4R)-2-benzylimino-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methanol is sourced from PubChem (CID 10244209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).