7,7-dimethyl-2-(pyridin-2-ylmethylimino)bicyclo[2.2.1]heptane-1-carboxylic acid

C16H20N2O2 — CID 134940270

IUPAC7,7-dimethyl-2-(pyridin-2-ylmethylimino)bicyclo[2.2.1]heptane-1-carboxylic acid
SMILESCC1(C)C2CCC1(C(=O)O)/C(=N/Cc1ccccn1)C2
InChIInChI=1S/C16H20N2O2/c1-15(2)11-6-7-16(15,14(19)20)13(9-11)18-10-12-5-3-4-8-17-12/h3-5,8,11H,6-7,9-10H2,1-2H3,(H,19,20)/b18-13+
InChIKeyASDOJZOVDBSVMX-QGOAFFKASA-N
MW272.35 g/mol
LogP2.93
Rot. Bonds3

About 7,7-dimethyl-2-(pyridin-2-ylmethylimino)bicyclo[2.2.1]heptane-1-carboxylic acid

7,7-dimethyl-2-(pyridin-2-ylmethylimino)bicyclo[2.2.1]heptane-1-carboxylic acid (PubChem CID 134940270) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 7,7-dimethyl-2-(pyridin-2-ylmethylimino)bicyclo[2.2.1]heptane-1-carboxylic acid.

Molecular Properties

Compound Name7,7-dimethyl-2-(pyridin-2-ylmethylimino)bicyclo[2.2.1]heptane-1-carboxylic acid
PubChem CID134940270
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name7,7-dimethyl-2-(pyridin-2-ylmethylimino)bicyclo[2.2.1]heptane-1-carboxylic acid
SMILESCC1(C)C2CCC1(C(=O)O)/C(=N/Cc1ccccn1)C2
InChIInChI=1S/C16H20N2O2/c1-15(2)11-6-7-16(15,14(19)20)13(9-11)18-10-12-5-3-4-8-17-12/h3-5,8,11H,6-7,9-10H2,1-2H3,(H,19,20)/b18-13+
InChIKeyASDOJZOVDBSVMX-QGOAFFKASA-N
XLogP2.93
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.93
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

(1S,4R)-7,7-dimethyl-2-(pyridin-2-ylmethylimino)bicyclo[2.2.1]heptane-1-carboxylic acid
CID 101431000
(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
pyridin-2-ylmethanamine;(1R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one;2-[2-[(1S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]ethyl]pyridine;(1R)-1,7,7-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-imine
CID 158856424
(3S,5S,8R,9S,10S,13S,14S)-10,13-dimethyl-17-(pyridin-2-ylmethylimino)-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-ol
CID 45258100
(3R,5R,8R,9R,10S,13S,14S)-3,13-dimethyl-17-(pyridin-2-ylmethylimino)-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-ol
CID 134179893
(1R,4R)-7,7-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxylic acid
CID 134995170
3-ethyl-1-(pyridin-2-ylmethyl)cyclopentane-1-carboxylic acid
CID 79428964
(1S)-1,7,7-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine
CID 139370439
(1S,2S,4S)-1,7,7-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine
CID 46831020
(1R,2R,4R)-1,7,7-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine;dihydrochloride
CID 118989555
acetic acid;2-ethylpyridine
CID 70072313
(1R)-1,7,7-trimethyl-N-(2-pyridin-2-ylpropan-2-yl)bicyclo[2.2.1]heptan-2-imine
CID 102228854

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-2-(pyridin-2-ylmethylimino)bicyclo[2.2.1]heptane-1-carboxylic acid?
The IUPAC name of 7,7-dimethyl-2-(pyridin-2-ylmethylimino)bicyclo[2.2.1]heptane-1-carboxylic acid (CID 134940270) is 7,7-dimethyl-2-(pyridin-2-ylmethylimino)bicyclo[2.2.1]heptane-1-carboxylic acid.
What is the SMILES notation for 7,7-dimethyl-2-(pyridin-2-ylmethylimino)bicyclo[2.2.1]heptane-1-carboxylic acid?
The canonical SMILES for 7,7-dimethyl-2-(pyridin-2-ylmethylimino)bicyclo[2.2.1]heptane-1-carboxylic acid is CC1(C)C2CCC1(C(=O)O)/C(=N/Cc1ccccn1)C2.
What is the InChIKey of 7,7-dimethyl-2-(pyridin-2-ylmethylimino)bicyclo[2.2.1]heptane-1-carboxylic acid?
The InChIKey is ASDOJZOVDBSVMX-QGOAFFKASA-N. The full InChI is InChI=1S/C16H20N2O2/c1-15(2)11-6-7-16(15,14(19)20)13(9-11)18-10-12-5-3-4-8-17-12/h3-5,8,11H,6-7,9-10H2,1-2H3,(H,19,20)/b18-13+.
What are the key properties of 7,7-dimethyl-2-(pyridin-2-ylmethylimino)bicyclo[2.2.1]heptane-1-carboxylic acid?
7,7-dimethyl-2-(pyridin-2-ylmethylimino)bicyclo[2.2.1]heptane-1-carboxylic acid has a molecular weight of 272.35 g/mol, XLogP of 2.93, 3 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)bicyclo[2.2.1]heptane-1-carboxylic acid is sourced from PubChem (CID 134940270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).