N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-N-cyclohexyl-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N-cyclohexyl-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;N-(1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-3-yl)-N-cyclohexyl-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;N,N-dicyclohexyl-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine

C136H220N4O4S4 — CID 165055213

About N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-N-cyclohexyl-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N-cyclohexyl-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;N-(1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-3-yl)-N-cyclohexyl-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;N,N-dicyclohexyl-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine

N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-N-cyclohexyl-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N-cyclohexyl-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;N-(1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-3-yl)-N-cyclohexyl-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;N,N-dicyclohexyl-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine (PubChem CID 165055213) has the molecular formula C136H220N4O4S4 and a molecular weight of 2103.55 g/mol. Its IUPAC name is N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-N-cyclohexyl-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N-cyclohexyl-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;N-(1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-3-yl)-N-cyclohexyl-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;N,N-dicyclohexyl-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine.

Molecular Properties

• Compound Name: N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-N-cyclohexyl-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N-cyclohexyl-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;N-(1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-3-yl)-N-cyclohexyl-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;N,N-dicyclohexyl-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine
• PubChem CID: 165055213
• Molecular Formula: C136H220N4O4S4
• Molecular Weight: 2103.55 g/mol
• Exact Mass: 2101.60
• IUPAC Name: N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-N-cyclohexyl-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N-cyclohexyl-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;N-(1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-3-yl)-N-cyclohexyl-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;N,N-dicyclohexyl-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine
• SMILES: C1CCC(N(C2CCC3CCC4CCCCC4C3C2)C2CCCC3C4CCC5OC6CCCCC6C5C4SC32)CC1.C1CCC(N(C2CCC3CCCCC3C2)C2CCCC3C4CCC5OC6CCCCC6C5C4SC32)CC1.C1CCC(N(C2CCCC3CCCCC32)C2CCCC3C4CCC5OC6CCCCC6C5C4SC32)CC1.C1CCC(N(C2CCCCC2)C2CCCC3C4CCC5OC6CCCCC6C5C4SC32)CC1
• InChI: InChI=1S/C38H61NOS.2C34H55NOS.C30H49NOS/c1-2-10-26(11-3-1)39(27-20-19-25-18-17-24-9-4-5-12-28(24)32(25)23-27)33-15-8-14-29-30-21-22-35-36(38(30)41-37(29)33)31-13-6-7-16-34(31)40-35;1-2-12-23(13-3-1)35(28-17-8-11-22-10-4-5-14-24(22)28)29-18-9-16-25-26-20-21-31-32(34(26)37-33(25)29)27-15-6-7-19-30(27)36-31;1-2-11-24(12-3-1)35(25-18-17-22-9-4-5-10-23(22)21-25)29-15-8-14-26-27-19-20-31-32(34(27)37-33(26)29)28-13-6-7-16-30(28)36-31;1-3-10-20(11-4-1)31(21-12-5-2-6-13-21)25-16-9-15-22-23-18-19-27-28(30(23)33-29(22)25)24-14-7-8-17-26(24)32-27/h24-38H,1-23H2;2*22-34H,1-21H2;20-30H,1-19H2
• InChIKey: QHOCIRAJJVSARI-UHFFFAOYSA-N
• XLogP: 34.47
• TPSA: 49.88 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2103.55
LogP ≤ 5	34.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-N-cyclohexyl-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N-cyclohexyl-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;N-(1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-3-yl)-N-cyclohexyl-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;N,N-dicyclohexyl-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine?

The IUPAC name of N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-N-cyclohexyl-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N-cyclohexyl-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;N-(1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-3-yl)-N-cyclohexyl-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;N,N-dicyclohexyl-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine (CID 165055213) is N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-N-cyclohexyl-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N-cyclohexyl-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;N-(1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-3-yl)-N-cyclohexyl-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;N,N-dicyclohexyl-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine.

What is the SMILES notation for N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-N-cyclohexyl-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N-cyclohexyl-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;N-(1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-3-yl)-N-cyclohexyl-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;N,N-dicyclohexyl-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine?

The canonical SMILES for N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-N-cyclohexyl-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N-cyclohexyl-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;N-(1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-3-yl)-N-cyclohexyl-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;N,N-dicyclohexyl-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine is C1CCC(N(C2CCC3CCC4CCCCC4C3C2)C2CCCC3C4CCC5OC6CCCCC6C5C4SC32)CC1.C1CCC(N(C2CCC3CCCCC3C2)C2CCCC3C4CCC5OC6CCCCC6C5C4SC32)CC1.C1CCC(N(C2CCCC3CCCCC32)C2CCCC3C4CCC5OC6CCCCC6C5C4SC32)CC1.C1CCC(N(C2CCCCC2)C2CCCC3C4CCC5OC6CCCCC6C5C4SC32)CC1.

What is the InChIKey of N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-N-cyclohexyl-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N-cyclohexyl-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;N-(1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-3-yl)-N-cyclohexyl-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;N,N-dicyclohexyl-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine?

The InChIKey is QHOCIRAJJVSARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H61NOS.2C34H55NOS.C30H49NOS/c1-2-10-26(11-3-1)39(27-20-19-25-18-17-24-9-4-5-12-28(24)32(25)23-27)33-15-8-14-29-30-21-22-35-36(38(30)41-37(29)33)31-13-6-7-16-34(31)40-35;1-2-12-23(13-3-1)35(28-17-8-11-22-10-4-5-14-24(22)28)29-18-9-16-25-26-20-21-31-32(34(26)37-33(25)29)27-15-6-7-19-30(27)36-31;1-2-11-24(12-3-1)35(25-18-17-22-9-4-5-10-23(22)21-25)29-15-8-14-26-27-19-20-31-32(34(27)37-33(26)29)28-13-6-7-16-30(28)36-31;1-3-10-20(11-4-1)31(21-12-5-2-6-13-21)25-16-9-15-22-23-18-19-27-28(30(23)33-29(22)25)24-14-7-8-17-26(24)32-27/h24-38H,1-23H2;2*22-34H,1-21H2;20-30H,1-19H2.

What are the key properties of N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-N-cyclohexyl-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N-cyclohexyl-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;N-(1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-3-yl)-N-cyclohexyl-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;N,N-dicyclohexyl-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine?

N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-N-cyclohexyl-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N-cyclohexyl-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;N-(1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-3-yl)-N-cyclohexyl-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;N,N-dicyclohexyl-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine has a molecular weight of 2103.55 g/mol, XLogP of 34.47, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-N-cyclohexyl-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N-cyclohexyl-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;N-(1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-3-yl)-N-cyclohexyl-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;N,N-dicyclohexyl-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine is sourced from PubChem (CID 165055213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).