2-(2-bicyclo[2.2.1]heptanylmethyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine

C16H27N — CID 106780596

IUPAC2-(2-bicyclo[2.2.1]heptanylmethyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine
SMILESC1CC2CCC(CC3CC4CCC3C4)NC2C1
InChIInChI=1S/C16H27N/c1-2-12-6-7-15(17-16(12)3-1)10-14-9-11-4-5-13(14)8-11/h11-17H,1-10H2
InChIKeyKATLNHZSOYMFBO-UHFFFAOYSA-N
MW233.40 g/mol
LogP3.73
Rot. Bonds2

About 2-(2-bicyclo[2.2.1]heptanylmethyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine

2-(2-bicyclo[2.2.1]heptanylmethyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine (PubChem CID 106780596) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanylmethyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanylmethyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine
PubChem CID106780596
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name2-(2-bicyclo[2.2.1]heptanylmethyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine
SMILESC1CC2CCC(CC3CC4CCC3C4)NC2C1
InChIInChI=1S/C16H27N/c1-2-12-6-7-15(17-16(12)3-1)10-14-9-11-4-5-13(14)8-11/h11-17H,1-10H2
InChIKeyKATLNHZSOYMFBO-UHFFFAOYSA-N
XLogP3.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(2-bicyclo[2.2.1]heptanylmethyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine with MolForge

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Related Compounds

2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridin-2-ylmethanethiol
CID 89216652
2-(2-bicyclo[2.2.1]heptanylmethyl)-1-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 19102351
2-(3-methylbutyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine
CID 106778439
(1S,2S,4R)-2-[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]bicyclo[2.2.1]heptane
CID 54589598
2-octyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine
CID 106778471
[(2R,3aR,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-2-yl]methanol
CID 11073520
[(2R,3aR,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-2-yl]methanamine
CID 55289373
1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-N,N-dimethylmethanamine
CID 66469009
(1R,2S,4R)-2-(iodomethyl)bicyclo[2.2.1]heptane
CID 98085317
2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]ethanol
CID 14043124
[(1S,5R,6R)-6-bicyclo[3.2.1]octanyl]methanol
CID 131199969
2-azatricyclo[7.3.0.03,7]dodecane
CID 14195049

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanylmethyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanylmethyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine (CID 106780596) is 2-(2-bicyclo[2.2.1]heptanylmethyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanylmethyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanylmethyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine is C1CC2CCC(CC3CC4CCC3C4)NC2C1.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanylmethyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine?
The InChIKey is KATLNHZSOYMFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-2-12-6-7-15(17-16(12)3-1)10-14-9-11-4-5-13(14)8-11/h11-17H,1-10H2.
What are the key properties of 2-(2-bicyclo[2.2.1]heptanylmethyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine?
2-(2-bicyclo[2.2.1]heptanylmethyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine has a molecular weight of 233.40 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanylmethyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine is sourced from PubChem (CID 106780596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).