ethane;2-[(9R)-9-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-6-oxaspiro[4.5]decan-9-yl]pyridine

C31H47NO — CID 159957103

IUPACethane;2-[(9R)-9-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-6-oxaspiro[4.5]decan-9-yl]pyridine
SMILESCC.CC.c1ccc([C@]2(CCCC3CCCc4ccccc43)CCOC3(CCCC3)C2)nc1
InChIInChI=1S/C27H35NO.2C2H6/c1-2-13-24-22(9-1)10-7-11-23(24)12-8-15-26(25-14-3-6-19-28-25)18-20-29-27(21-26)16-4-5-17-27;2*1-2/h1-3,6,9,13-14,19,23H,4-5,7-8,10-12,15-18,20-21H2;2*1-2H3/t23?,26-;;/m1../s1
InChIKeyOCVWHAOXBFDHCC-GETUUFNASA-N
MW449.72 g/mol
LogP8.79
Rot. Bonds5

About ethane;2-[(9R)-9-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-6-oxaspiro[4.5]decan-9-yl]pyridine

ethane;2-[(9R)-9-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-6-oxaspiro[4.5]decan-9-yl]pyridine (PubChem CID 159957103) has the molecular formula C31H47NO and a molecular weight of 449.72 g/mol. Its IUPAC name is ethane;2-[(9R)-9-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-6-oxaspiro[4.5]decan-9-yl]pyridine.

Molecular Properties

Compound Nameethane;2-[(9R)-9-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-6-oxaspiro[4.5]decan-9-yl]pyridine
PubChem CID159957103
Molecular FormulaC31H47NO
Molecular Weight449.72 g/mol
Exact Mass449.37
IUPAC Nameethane;2-[(9R)-9-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-6-oxaspiro[4.5]decan-9-yl]pyridine
SMILESCC.CC.c1ccc([C@]2(CCCC3CCCc4ccccc43)CCOC3(CCCC3)C2)nc1
InChIInChI=1S/C27H35NO.2C2H6/c1-2-13-24-22(9-1)10-7-11-23(24)12-8-15-26(25-14-3-6-19-28-25)18-20-29-27(21-26)16-4-5-17-27;2*1-2/h1-3,6,9,13-14,19,23H,4-5,7-8,10-12,15-18,20-21H2;2*1-2H3/t23?,26-;;/m1../s1
InChIKeyOCVWHAOXBFDHCC-GETUUFNASA-N
XLogP8.79
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.72
LogP ≤ 58.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethane;2-[(9R)-9-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-6-oxaspiro[4.5]decan-9-yl]pyridine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;2-[(9R)-9-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-6-oxaspiro[4.5]decan-9-yl]pyridine?
The IUPAC name of ethane;2-[(9R)-9-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-6-oxaspiro[4.5]decan-9-yl]pyridine (CID 159957103) is ethane;2-[(9R)-9-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-6-oxaspiro[4.5]decan-9-yl]pyridine.
What is the SMILES notation for ethane;2-[(9R)-9-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-6-oxaspiro[4.5]decan-9-yl]pyridine?
The canonical SMILES for ethane;2-[(9R)-9-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-6-oxaspiro[4.5]decan-9-yl]pyridine is CC.CC.c1ccc([C@]2(CCCC3CCCc4ccccc43)CCOC3(CCCC3)C2)nc1.
What is the InChIKey of ethane;2-[(9R)-9-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-6-oxaspiro[4.5]decan-9-yl]pyridine?
The InChIKey is OCVWHAOXBFDHCC-GETUUFNASA-N. The full InChI is InChI=1S/C27H35NO.2C2H6/c1-2-13-24-22(9-1)10-7-11-23(24)12-8-15-26(25-14-3-6-19-28-25)18-20-29-27(21-26)16-4-5-17-27;2*1-2/h1-3,6,9,13-14,19,23H,4-5,7-8,10-12,15-18,20-21H2;2*1-2H3/t23?,26-;;/m1../s1.
What are the key properties of ethane;2-[(9R)-9-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-6-oxaspiro[4.5]decan-9-yl]pyridine?
ethane;2-[(9R)-9-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-6-oxaspiro[4.5]decan-9-yl]pyridine has a molecular weight of 449.72 g/mol, XLogP of 8.79, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[(9R)-9-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-6-oxaspiro[4.5]decan-9-yl]pyridine is sourced from PubChem (CID 159957103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).