(1R)-1,7,7-trimethyl-N-(2-pyridin-2-ylpropan-2-yl)bicyclo[2.2.1]heptan-2-imine

C18H26N2 — CID 102228854

IUPAC(1R)-1,7,7-trimethyl-N-(2-pyridin-2-ylpropan-2-yl)bicyclo[2.2.1]heptan-2-imine
SMILESCC(C)(/N=C1\CC2CC[C@]1(C)C2(C)C)c1ccccn1
InChIInChI=1S/C18H26N2/c1-16(2)13-9-10-18(16,5)15(12-13)20-17(3,4)14-8-6-7-11-19-14/h6-8,11,13H,9-10,12H2,1-5H3/b20-15+/t13?,18-/m0/s1
InChIKeyWSFFFKFMSQXLPF-RIFUXQLRSA-N
MW270.42 g/mol
LogP4.60
Rot. Bonds2

About (1R)-1,7,7-trimethyl-N-(2-pyridin-2-ylpropan-2-yl)bicyclo[2.2.1]heptan-2-imine

(1R)-1,7,7-trimethyl-N-(2-pyridin-2-ylpropan-2-yl)bicyclo[2.2.1]heptan-2-imine (PubChem CID 102228854) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is (1R)-1,7,7-trimethyl-N-(2-pyridin-2-ylpropan-2-yl)bicyclo[2.2.1]heptan-2-imine.

Molecular Properties

Compound Name(1R)-1,7,7-trimethyl-N-(2-pyridin-2-ylpropan-2-yl)bicyclo[2.2.1]heptan-2-imine
PubChem CID102228854
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC Name(1R)-1,7,7-trimethyl-N-(2-pyridin-2-ylpropan-2-yl)bicyclo[2.2.1]heptan-2-imine
SMILESCC(C)(/N=C1\CC2CC[C@]1(C)C2(C)C)c1ccccn1
InChIInChI=1S/C18H26N2/c1-16(2)13-9-10-18(16,5)15(12-13)20-17(3,4)14-8-6-7-11-19-14/h6-8,11,13H,9-10,12H2,1-5H3/b20-15+/t13?,18-/m0/s1
InChIKeyWSFFFKFMSQXLPF-RIFUXQLRSA-N
XLogP4.60
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R)-1,7,7-trimethyl-N-(2-pyridin-2-ylpropan-2-yl)bicyclo[2.2.1]heptan-2-imine with MolForge

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Related Compounds

N-[(E)-[(1R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]pyridine-2-carboxamide
CID 23327830
2-hydroxy-N-[(E)-[(1S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]benzamide
CID 25251646
N-[(Z)-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]benzamide
CID 7129928
N-[(1S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydroxylamine
CID 45157399
(E)-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydrazine
CID 7813883
(1R)-1,7,7-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine;(1R)-1,7,7-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-imine
CID 159041720
2-fluoro-N-[(E)-[(1R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]benzamide
CID 23328031
(E,1R,4R)-N-[tert-butyl(dimethyl)silyl]oxy-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine
CID 11065881
(E,1R,4R)-1,7,7-trimethyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methoxy]bicyclo[2.2.1]heptan-2-imine
CID 166283178
N-methyl-N-[(Z)-[(1S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]methanamine
CID 23308484
[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino] benzoate
CID 4633669
N-[(E)-[(1R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]quinoline-2-carboxamide
CID 23327836

Frequently Asked Questions

What is the IUPAC name of (1R)-1,7,7-trimethyl-N-(2-pyridin-2-ylpropan-2-yl)bicyclo[2.2.1]heptan-2-imine?
The IUPAC name of (1R)-1,7,7-trimethyl-N-(2-pyridin-2-ylpropan-2-yl)bicyclo[2.2.1]heptan-2-imine (CID 102228854) is (1R)-1,7,7-trimethyl-N-(2-pyridin-2-ylpropan-2-yl)bicyclo[2.2.1]heptan-2-imine.
What is the SMILES notation for (1R)-1,7,7-trimethyl-N-(2-pyridin-2-ylpropan-2-yl)bicyclo[2.2.1]heptan-2-imine?
The canonical SMILES for (1R)-1,7,7-trimethyl-N-(2-pyridin-2-ylpropan-2-yl)bicyclo[2.2.1]heptan-2-imine is CC(C)(/N=C1\CC2CC[C@]1(C)C2(C)C)c1ccccn1.
What is the InChIKey of (1R)-1,7,7-trimethyl-N-(2-pyridin-2-ylpropan-2-yl)bicyclo[2.2.1]heptan-2-imine?
The InChIKey is WSFFFKFMSQXLPF-RIFUXQLRSA-N. The full InChI is InChI=1S/C18H26N2/c1-16(2)13-9-10-18(16,5)15(12-13)20-17(3,4)14-8-6-7-11-19-14/h6-8,11,13H,9-10,12H2,1-5H3/b20-15+/t13?,18-/m0/s1.
What are the key properties of (1R)-1,7,7-trimethyl-N-(2-pyridin-2-ylpropan-2-yl)bicyclo[2.2.1]heptan-2-imine?
(1R)-1,7,7-trimethyl-N-(2-pyridin-2-ylpropan-2-yl)bicyclo[2.2.1]heptan-2-imine has a molecular weight of 270.42 g/mol, XLogP of 4.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1,7,7-trimethyl-N-(2-pyridin-2-ylpropan-2-yl)bicyclo[2.2.1]heptan-2-imine is sourced from PubChem (CID 102228854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).