(4aS,10aR)-1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydrocycloocta[c]pyridine

C11H21N — CID 164752917

IUPAC(4aS,10aR)-1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydrocycloocta[c]pyridine
SMILESC1CCC[C@H]2CNCC[C@@H]2CC1
InChIInChI=1S/C11H21N/c1-2-4-6-11-9-12-8-7-10(11)5-3-1/h10-12H,1-9H2/t10-,11-/m0/s1
InChIKeyLETASGBUQRHTQV-QWRGUYRKSA-N
MW167.30 g/mol
LogP2.57
Rot. Bonds

About (4aS,10aR)-1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydrocycloocta[c]pyridine

(4aS,10aR)-1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydrocycloocta[c]pyridine (PubChem CID 164752917) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is (4aS,10aR)-1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydrocycloocta[c]pyridine.

Molecular Properties

Compound Name(4aS,10aR)-1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydrocycloocta[c]pyridine
PubChem CID164752917
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name(4aS,10aR)-1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydrocycloocta[c]pyridine
SMILESC1CCC[C@H]2CNCC[C@@H]2CC1
InChIInChI=1S/C11H21N/c1-2-4-6-11-9-12-8-7-10(11)5-3-1/h10-12H,1-9H2/t10-,11-/m0/s1
InChIKeyLETASGBUQRHTQV-QWRGUYRKSA-N
XLogP2.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (4aS,10aR)-1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydrocycloocta[c]pyridine with MolForge

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Related Compounds

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CID 162517794
(12aR)-1,2,3,3a,4,5,6,7,8,9,10,11,12,12a-tetradecahydrocycloundeca[c]pyrrole
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Frequently Asked Questions

What is the IUPAC name of (4aS,10aR)-1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydrocycloocta[c]pyridine?
The IUPAC name of (4aS,10aR)-1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydrocycloocta[c]pyridine (CID 164752917) is (4aS,10aR)-1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydrocycloocta[c]pyridine.
What is the SMILES notation for (4aS,10aR)-1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydrocycloocta[c]pyridine?
The canonical SMILES for (4aS,10aR)-1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydrocycloocta[c]pyridine is C1CCC[C@H]2CNCC[C@@H]2CC1.
What is the InChIKey of (4aS,10aR)-1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydrocycloocta[c]pyridine?
The InChIKey is LETASGBUQRHTQV-QWRGUYRKSA-N. The full InChI is InChI=1S/C11H21N/c1-2-4-6-11-9-12-8-7-10(11)5-3-1/h10-12H,1-9H2/t10-,11-/m0/s1.
What are the key properties of (4aS,10aR)-1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydrocycloocta[c]pyridine?
(4aS,10aR)-1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydrocycloocta[c]pyridine has a molecular weight of 167.30 g/mol, XLogP of 2.57, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,10aR)-1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydrocycloocta[c]pyridine is sourced from PubChem (CID 164752917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).