(4aR,10aS)-4a,5,6,7,8,9,10,10a-octahydrocycloocta[c]pyridine

C11H17N — CID 134861499

IUPAC(4aR,10aS)-4a,5,6,7,8,9,10,10a-octahydrocycloocta[c]pyridine
SMILESC1=C[C@H]2CCCCCC[C@@H]2C=N1
InChIInChI=1S/C11H17N/c1-2-4-6-11-9-12-8-7-10(11)5-3-1/h7-11H,1-6H2/t10-,11-/m1/s1
InChIKeyNSOLPWDJUUXOLA-GHMZBOCLSA-N
MW163.26 g/mol
LogP3.17
Rot. Bonds

About (4aR,10aS)-4a,5,6,7,8,9,10,10a-octahydrocycloocta[c]pyridine

(4aR,10aS)-4a,5,6,7,8,9,10,10a-octahydrocycloocta[c]pyridine (PubChem CID 134861499) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is (4aR,10aS)-4a,5,6,7,8,9,10,10a-octahydrocycloocta[c]pyridine.

Molecular Properties

Compound Name(4aR,10aS)-4a,5,6,7,8,9,10,10a-octahydrocycloocta[c]pyridine
PubChem CID134861499
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name(4aR,10aS)-4a,5,6,7,8,9,10,10a-octahydrocycloocta[c]pyridine
SMILESC1=C[C@H]2CCCCCC[C@@H]2C=N1
InChIInChI=1S/C11H17N/c1-2-4-6-11-9-12-8-7-10(11)5-3-1/h7-11H,1-6H2/t10-,11-/m1/s1
InChIKeyNSOLPWDJUUXOLA-GHMZBOCLSA-N
XLogP3.17
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Cyclohexyl-3,4-dihydropyridine
CID 53946718
4-Cyclooctyl-5-methyl-3,4-dihydropyridine
CID 56982808
3-Cyclopentyl-3,4-dihydropyridine
CID 57016506
3,4-Di(propan-2-yl)-3,4-dihydropyridine
CID 59427938
3,4-Diethyl-3,4-dihydropyridine
CID 68086218
3-[3-(3,4-Dihydropyridin-3-yl)propyl]-3,4-dihydropyridine
CID 69669974
3-(5-methyl-2-propylhex-5-enyl)-3H-pyrrole
CID 89363193
8-Propan-2-yl-4a,5,6,7,8,8a-hexahydroisoquinoline
CID 89973779
N-[(Z)-3-butan-2-yl-4-methyloct-1-enyl]ethanimine
CID 123762729
(7Z)-6-ethyl-5-methyl-3,4,5,6-tetrahydroazocine
CID 123933853
4a,5,6,7,8,9,10,10a-Octahydrocycloocta[c]pyridine
CID 124184657
9-Tert-butyl-9-methyl-4a,5,6,7,8,10,11,11a-octahydrocyclonona[c]pyridine
CID 134232119

Frequently Asked Questions

What is the IUPAC name of (4aR,10aS)-4a,5,6,7,8,9,10,10a-octahydrocycloocta[c]pyridine?
The IUPAC name of (4aR,10aS)-4a,5,6,7,8,9,10,10a-octahydrocycloocta[c]pyridine (CID 134861499) is (4aR,10aS)-4a,5,6,7,8,9,10,10a-octahydrocycloocta[c]pyridine.
What is the SMILES notation for (4aR,10aS)-4a,5,6,7,8,9,10,10a-octahydrocycloocta[c]pyridine?
The canonical SMILES for (4aR,10aS)-4a,5,6,7,8,9,10,10a-octahydrocycloocta[c]pyridine is C1=C[C@H]2CCCCCC[C@@H]2C=N1.
What is the InChIKey of (4aR,10aS)-4a,5,6,7,8,9,10,10a-octahydrocycloocta[c]pyridine?
The InChIKey is NSOLPWDJUUXOLA-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H17N/c1-2-4-6-11-9-12-8-7-10(11)5-3-1/h7-11H,1-6H2/t10-,11-/m1/s1.
What are the key properties of (4aR,10aS)-4a,5,6,7,8,9,10,10a-octahydrocycloocta[c]pyridine?
(4aR,10aS)-4a,5,6,7,8,9,10,10a-octahydrocycloocta[c]pyridine has a molecular weight of 163.26 g/mol, XLogP of 3.17, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,10aS)-4a,5,6,7,8,9,10,10a-octahydrocycloocta[c]pyridine is sourced from PubChem (CID 134861499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).