(3'R)-4'-[2-(dimethylamino)ethyl]-3',6',11,12b-tetramethylspiro[2,5,6,6a,6b,7,8,10,12,12a-decahydro-1H-naphtho[2,1-a]azulene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-3-one;ethane

C34H56N2O2 — CID 143831368

About (3'R)-4'-[2-(dimethylamino)ethyl]-3',6',11,12b-tetramethylspiro[2,5,6,6a,6b,7,8,10,12,12a-decahydro-1H-naphtho[2,1-a]azulene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-3-one;ethane

(3'R)-4'-[2-(dimethylamino)ethyl]-3',6',11,12b-tetramethylspiro[2,5,6,6a,6b,7,8,10,12,12a-decahydro-1H-naphtho[2,1-a]azulene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-3-one;ethane (PubChem CID 143831368) has the molecular formula C34H56N2O2 and a molecular weight of 524.83 g/mol. Its IUPAC name is (3'R)-4'-[2-(dimethylamino)ethyl]-3',6',11,12b-tetramethylspiro[2,5,6,6a,6b,7,8,10,12,12a-decahydro-1H-naphtho[2,1-a]azulene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-3-one;ethane.

Molecular Properties

• Compound Name: (3'R)-4'-[2-(dimethylamino)ethyl]-3',6',11,12b-tetramethylspiro[2,5,6,6a,6b,7,8,10,12,12a-decahydro-1H-naphtho[2,1-a]azulene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-3-one;ethane
• PubChem CID: 143831368
• Molecular Formula: C34H56N2O2
• Molecular Weight: 524.83 g/mol
• Exact Mass: 524.43
• IUPAC Name: (3'R)-4'-[2-(dimethylamino)ethyl]-3',6',11,12b-tetramethylspiro[2,5,6,6a,6b,7,8,10,12,12a-decahydro-1H-naphtho[2,1-a]azulene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-3-one;ethane
• SMILES: CC.CC1=C2CC3C(CCC4=CC(=O)CCC43C)C2CCC2(C1)OC1CC(C)CN(CCN(C)C)C1[C@H]2C
• InChI: InChI=1S/C32H50N2O2.C2H6/c1-20-15-29-30(34(19-20)14-13-33(5)6)22(3)32(36-29)12-10-25-26-8-7-23-16-24(35)9-11-31(23,4)28(26)17-27(25)21(2)18-32;1-2/h16,20,22,25-26,28-30H,7-15,17-19H2,1-6H3;1-2H3/t20?,22-,25?,26?,28?,29?,30?,31?,32?;/m1./s1
• InChIKey: KNFUPBLMCJHYNQ-AHADGGFPSA-N
• XLogP: 6.90
• TPSA: 32.78 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	524.83
LogP ≤ 5	6.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3'R)-4'-[2-(dimethylamino)ethyl]-3',6',11,12b-tetramethylspiro[2,5,6,6a,6b,7,8,10,12,12a-decahydro-1H-naphtho[2,1-a]azulene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-3-one;ethane?

The IUPAC name of (3'R)-4'-[2-(dimethylamino)ethyl]-3',6',11,12b-tetramethylspiro[2,5,6,6a,6b,7,8,10,12,12a-decahydro-1H-naphtho[2,1-a]azulene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-3-one;ethane (CID 143831368) is (3'R)-4'-[2-(dimethylamino)ethyl]-3',6',11,12b-tetramethylspiro[2,5,6,6a,6b,7,8,10,12,12a-decahydro-1H-naphtho[2,1-a]azulene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-3-one;ethane.

What is the SMILES notation for (3'R)-4'-[2-(dimethylamino)ethyl]-3',6',11,12b-tetramethylspiro[2,5,6,6a,6b,7,8,10,12,12a-decahydro-1H-naphtho[2,1-a]azulene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-3-one;ethane?

The canonical SMILES for (3'R)-4'-[2-(dimethylamino)ethyl]-3',6',11,12b-tetramethylspiro[2,5,6,6a,6b,7,8,10,12,12a-decahydro-1H-naphtho[2,1-a]azulene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-3-one;ethane is CC.CC1=C2CC3C(CCC4=CC(=O)CCC43C)C2CCC2(C1)OC1CC(C)CN(CCN(C)C)C1[C@H]2C.

What is the InChIKey of (3'R)-4'-[2-(dimethylamino)ethyl]-3',6',11,12b-tetramethylspiro[2,5,6,6a,6b,7,8,10,12,12a-decahydro-1H-naphtho[2,1-a]azulene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-3-one;ethane?

The InChIKey is KNFUPBLMCJHYNQ-AHADGGFPSA-N. The full InChI is InChI=1S/C32H50N2O2.C2H6/c1-20-15-29-30(34(19-20)14-13-33(5)6)22(3)32(36-29)12-10-25-26-8-7-23-16-24(35)9-11-31(23,4)28(26)17-27(25)21(2)18-32;1-2/h16,20,22,25-26,28-30H,7-15,17-19H2,1-6H3;1-2H3/t20?,22-,25?,26?,28?,29?,30?,31?,32?;/m1./s1.

What are the key properties of (3'R)-4'-[2-(dimethylamino)ethyl]-3',6',11,12b-tetramethylspiro[2,5,6,6a,6b,7,8,10,12,12a-decahydro-1H-naphtho[2,1-a]azulene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-3-one;ethane?

(3'R)-4'-[2-(dimethylamino)ethyl]-3',6',11,12b-tetramethylspiro[2,5,6,6a,6b,7,8,10,12,12a-decahydro-1H-naphtho[2,1-a]azulene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-3-one;ethane has a molecular weight of 524.83 g/mol, XLogP of 6.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3'R)-4'-[2-(dimethylamino)ethyl]-3',6',11,12b-tetramethylspiro[2,5,6,6a,6b,7,8,10,12,12a-decahydro-1H-naphtho[2,1-a]azulene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-3-one;ethane is sourced from PubChem (CID 143831368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).