(1R,2R,3S,4S)-N-methyl-3-pyridin-3-ylbicyclo[2.2.1]heptan-2-amine

C13H18N2 — CID 155537329

IUPAC(1R,2R,3S,4S)-N-methyl-3-pyridin-3-ylbicyclo[2.2.1]heptan-2-amine
SMILESCN[C@@H]1[C@@H]2CC[C@@H](C2)[C@H]1c1cccnc1
InChIInChI=1S/C13H18N2/c1-14-13-10-5-4-9(7-10)12(13)11-3-2-6-15-8-11/h2-3,6,8-10,12-14H,4-5,7H2,1H3/t9-,10+,12-,13+/m0/s1
InChIKeyZQRAJQXGAQNQED-JULQROHOSA-N
MW202.30 g/mol
LogP2.18
Rot. Bonds2

About (1R,2R,3S,4S)-N-methyl-3-pyridin-3-ylbicyclo[2.2.1]heptan-2-amine

(1R,2R,3S,4S)-N-methyl-3-pyridin-3-ylbicyclo[2.2.1]heptan-2-amine (PubChem CID 155537329) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is (1R,2R,3S,4S)-N-methyl-3-pyridin-3-ylbicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name(1R,2R,3S,4S)-N-methyl-3-pyridin-3-ylbicyclo[2.2.1]heptan-2-amine
PubChem CID155537329
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name(1R,2R,3S,4S)-N-methyl-3-pyridin-3-ylbicyclo[2.2.1]heptan-2-amine
SMILESCN[C@@H]1[C@@H]2CC[C@@H](C2)[C@H]1c1cccnc1
InChIInChI=1S/C13H18N2/c1-14-13-10-5-4-9(7-10)12(13)11-3-2-6-15-8-11/h2-3,6,8-10,12-14H,4-5,7H2,1H3/t9-,10+,12-,13+/m0/s1
InChIKeyZQRAJQXGAQNQED-JULQROHOSA-N
XLogP2.18
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R,2R,3S,4S)-N-methyl-3-pyridin-3-ylbicyclo[2.2.1]heptan-2-amine with MolForge

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Related Compounds

7-[(1S,2R,3S,4R)-3-pyridin-3-yl-2-bicyclo[2.2.1]heptanyl]heptanoic acid
CID 14860295
3-[(1R,2R)-2-methylcyclopropyl]pyridine
CID 59474162
3-[3-(3,5-dipyridin-3-ylcyclohexyl)-5-pyridin-3-ylcyclohexyl]pyridine
CID 58652188
(Z)-7-[(1S,2R,3S,4R)-3-pyridin-3-yl-2-bicyclo[2.2.1]heptanyl]hept-5-enoic acid
CID 14860292
3-(2-methylcyclobutyl)pyridine
CID 174716389
N-methyl-2-pyridin-3-ylpyrrolidin-1-ium-1-amine iodide
CID 149457997
3-(2-bromocyclopropyl)pyridine
CID 130539890
trans-(1R,3R)-3-pyridin-3-ylcyclohexan-1-ol
CID 67133890
N-tert-butyl-2-pyridin-3-ylcyclopropan-1-amine
CID 167361066
(2R,5S,7R)-2-pyridin-3-yl-1-azatricyclo[3.3.1.13,7]decane
CID 91808049
3-[(2S)-aziridin-2-yl]pyridine
CID 55263397
(2S,3S)-2-pyridin-3-yloxolan-3-amine
CID 124511858

Frequently Asked Questions

What is the IUPAC name of (1R,2R,3S,4S)-N-methyl-3-pyridin-3-ylbicyclo[2.2.1]heptan-2-amine?
The IUPAC name of (1R,2R,3S,4S)-N-methyl-3-pyridin-3-ylbicyclo[2.2.1]heptan-2-amine (CID 155537329) is (1R,2R,3S,4S)-N-methyl-3-pyridin-3-ylbicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for (1R,2R,3S,4S)-N-methyl-3-pyridin-3-ylbicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for (1R,2R,3S,4S)-N-methyl-3-pyridin-3-ylbicyclo[2.2.1]heptan-2-amine is CN[C@@H]1[C@@H]2CC[C@@H](C2)[C@H]1c1cccnc1.
What is the InChIKey of (1R,2R,3S,4S)-N-methyl-3-pyridin-3-ylbicyclo[2.2.1]heptan-2-amine?
The InChIKey is ZQRAJQXGAQNQED-JULQROHOSA-N. The full InChI is InChI=1S/C13H18N2/c1-14-13-10-5-4-9(7-10)12(13)11-3-2-6-15-8-11/h2-3,6,8-10,12-14H,4-5,7H2,1H3/t9-,10+,12-,13+/m0/s1.
What are the key properties of (1R,2R,3S,4S)-N-methyl-3-pyridin-3-ylbicyclo[2.2.1]heptan-2-amine?
(1R,2R,3S,4S)-N-methyl-3-pyridin-3-ylbicyclo[2.2.1]heptan-2-amine has a molecular weight of 202.30 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3S,4S)-N-methyl-3-pyridin-3-ylbicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 155537329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).