N,N-bis[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]-2-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)cyclohexan-1-amine;N,N-bis(4-cyclohexylcyclohexyl)-2-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)cyclohexan-1-amine;4-cyclohexyl-N-(4-cyclohexylcyclohexyl)-N-[4-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)cyclohexyl]cyclohexyl]cyclohexan-1-amine

C158H259N3S6 — CID 165039625

About N,N-bis[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]-2-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)cyclohexan-1-amine;N,N-bis(4-cyclohexylcyclohexyl)-2-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)cyclohexan-1-amine;4-cyclohexyl-N-(4-cyclohexylcyclohexyl)-N-[4-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)cyclohexyl]cyclohexyl]cyclohexan-1-amine

N,N-bis[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]-2-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)cyclohexan-1-amine;N,N-bis(4-cyclohexylcyclohexyl)-2-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)cyclohexan-1-amine;4-cyclohexyl-N-(4-cyclohexylcyclohexyl)-N-[4-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)cyclohexyl]cyclohexyl]cyclohexan-1-amine (PubChem CID 165039625) has the molecular formula C158H259N3S6 and a molecular weight of 2393.23 g/mol. Its IUPAC name is N,N-bis[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]-2-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)cyclohexan-1-amine;N,N-bis(4-cyclohexylcyclohexyl)-2-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)cyclohexan-1-amine;4-cyclohexyl-N-(4-cyclohexylcyclohexyl)-N-[4-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)cyclohexyl]cyclohexyl]cyclohexan-1-amine.

Molecular Properties

• Compound Name: N,N-bis[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]-2-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)cyclohexan-1-amine;N,N-bis(4-cyclohexylcyclohexyl)-2-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)cyclohexan-1-amine;4-cyclohexyl-N-(4-cyclohexylcyclohexyl)-N-[4-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)cyclohexyl]cyclohexyl]cyclohexan-1-amine
• PubChem CID: 165039625
• Molecular Formula: C158H259N3S6
• Molecular Weight: 2393.23 g/mol
• Exact Mass: 2390.87
• IUPAC Name: N,N-bis[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]-2-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)cyclohexan-1-amine;N,N-bis(4-cyclohexylcyclohexyl)-2-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)cyclohexan-1-amine;4-cyclohexyl-N-(4-cyclohexylcyclohexyl)-N-[4-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)cyclohexyl]cyclohexyl]cyclohexan-1-amine
• SMILES: C1CCC(C2CCC(N(C3CCC(C4CCCCC4)CC3)C3CCC(C4CCC(C5CCCC6C7CCC8SC9CCCCC9C8C7SC56)CC4)CC3)CC2)CC1.C1CCC(C2CCC(N(C3CCC(C4CCCCC4)CC3)C3CCCCC3C3CCCC4C5CCC6SC7CCCCC7C6C5SC43)CC2)CC1.C1CCC2CC(C3CCC(N(C4CCC(C5CCC6CCCCC6C5)CC4)C4CCCCC4C4CCCC5C6CCC7SC8CCCCC8C7C6SC54)CC3)CCC2C1
• InChI: InChI=1S/C56H91NS2.C54H89NS2.C48H79NS2/c1-3-12-40-34-42(22-20-36(40)10-1)38-24-28-44(29-25-38)57(45-30-26-39(27-31-45)43-23-21-37-11-2-4-13-41(37)35-43)51-18-7-5-14-46(51)47-16-9-17-48-49-32-33-53-54(56(49)59-55(47)48)50-15-6-8-19-52(50)58-53;1-3-10-36(11-4-1)39-22-28-43(29-23-39)55(44-30-24-40(25-31-44)37-12-5-2-6-13-37)45-32-26-41(27-33-45)38-18-20-42(21-19-38)46-15-9-16-47-48-34-35-51-52(54(48)57-53(46)47)49-14-7-8-17-50(49)56-51;1-3-12-32(13-4-1)34-22-26-36(27-23-34)49(37-28-24-35(25-29-37)33-14-5-2-6-15-33)43-20-9-7-16-38(43)39-18-11-19-40-41-30-31-45-46(48(41)51-47(39)40)42-17-8-10-21-44(42)50-45/h36-56H,1-35H2;36-54H,1-35H2;32-48H,1-31H2
• InChIKey: NXMMRDCLYMIRCL-UHFFFAOYSA-N
• XLogP: 45.04
• TPSA: 9.72 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 19
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2393.23
LogP ≤ 5	45.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N,N-bis[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]-2-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)cyclohexan-1-amine;N,N-bis(4-cyclohexylcyclohexyl)-2-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)cyclohexan-1-amine;4-cyclohexyl-N-(4-cyclohexylcyclohexyl)-N-[4-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)cyclohexyl]cyclohexyl]cyclohexan-1-amine?

The IUPAC name of N,N-bis[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]-2-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)cyclohexan-1-amine;N,N-bis(4-cyclohexylcyclohexyl)-2-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)cyclohexan-1-amine;4-cyclohexyl-N-(4-cyclohexylcyclohexyl)-N-[4-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)cyclohexyl]cyclohexyl]cyclohexan-1-amine (CID 165039625) is N,N-bis[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]-2-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)cyclohexan-1-amine;N,N-bis(4-cyclohexylcyclohexyl)-2-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)cyclohexan-1-amine;4-cyclohexyl-N-(4-cyclohexylcyclohexyl)-N-[4-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)cyclohexyl]cyclohexyl]cyclohexan-1-amine.

What is the SMILES notation for N,N-bis[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]-2-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)cyclohexan-1-amine;N,N-bis(4-cyclohexylcyclohexyl)-2-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)cyclohexan-1-amine;4-cyclohexyl-N-(4-cyclohexylcyclohexyl)-N-[4-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)cyclohexyl]cyclohexyl]cyclohexan-1-amine?

The canonical SMILES for N,N-bis[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]-2-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)cyclohexan-1-amine;N,N-bis(4-cyclohexylcyclohexyl)-2-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)cyclohexan-1-amine;4-cyclohexyl-N-(4-cyclohexylcyclohexyl)-N-[4-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)cyclohexyl]cyclohexyl]cyclohexan-1-amine is C1CCC(C2CCC(N(C3CCC(C4CCCCC4)CC3)C3CCC(C4CCC(C5CCCC6C7CCC8SC9CCCCC9C8C7SC56)CC4)CC3)CC2)CC1.C1CCC(C2CCC(N(C3CCC(C4CCCCC4)CC3)C3CCCCC3C3CCCC4C5CCC6SC7CCCCC7C6C5SC43)CC2)CC1.C1CCC2CC(C3CCC(N(C4CCC(C5CCC6CCCCC6C5)CC4)C4CCCCC4C4CCCC5C6CCC7SC8CCCCC8C7C6SC54)CC3)CCC2C1.

What is the InChIKey of N,N-bis[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]-2-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)cyclohexan-1-amine;N,N-bis(4-cyclohexylcyclohexyl)-2-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)cyclohexan-1-amine;4-cyclohexyl-N-(4-cyclohexylcyclohexyl)-N-[4-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)cyclohexyl]cyclohexyl]cyclohexan-1-amine?

The InChIKey is NXMMRDCLYMIRCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H91NS2.C54H89NS2.C48H79NS2/c1-3-12-40-34-42(22-20-36(40)10-1)38-24-28-44(29-25-38)57(45-30-26-39(27-31-45)43-23-21-37-11-2-4-13-41(37)35-43)51-18-7-5-14-46(51)47-16-9-17-48-49-32-33-53-54(56(49)59-55(47)48)50-15-6-8-19-52(50)58-53;1-3-10-36(11-4-1)39-22-28-43(29-23-39)55(44-30-24-40(25-31-44)37-12-5-2-6-13-37)45-32-26-41(27-33-45)38-18-20-42(21-19-38)46-15-9-16-47-48-34-35-51-52(54(48)57-53(46)47)49-14-7-8-17-50(49)56-51;1-3-12-32(13-4-1)34-22-26-36(27-23-34)49(37-28-24-35(25-29-37)33-14-5-2-6-15-33)43-20-9-7-16-38(43)39-18-11-19-40-41-30-31-45-46(48(41)51-47(39)40)42-17-8-10-21-44(42)50-45/h36-56H,1-35H2;36-54H,1-35H2;32-48H,1-31H2.

What are the key properties of N,N-bis[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]-2-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)cyclohexan-1-amine;N,N-bis(4-cyclohexylcyclohexyl)-2-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)cyclohexan-1-amine;4-cyclohexyl-N-(4-cyclohexylcyclohexyl)-N-[4-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)cyclohexyl]cyclohexyl]cyclohexan-1-amine?

N,N-bis[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]-2-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)cyclohexan-1-amine;N,N-bis(4-cyclohexylcyclohexyl)-2-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)cyclohexan-1-amine;4-cyclohexyl-N-(4-cyclohexylcyclohexyl)-N-[4-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)cyclohexyl]cyclohexyl]cyclohexan-1-amine has a molecular weight of 2393.23 g/mol, XLogP of 45.04, 19 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-bis[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]-2-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)cyclohexan-1-amine;N,N-bis(4-cyclohexylcyclohexyl)-2-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)cyclohexan-1-amine;4-cyclohexyl-N-(4-cyclohexylcyclohexyl)-N-[4-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)cyclohexyl]cyclohexyl]cyclohexan-1-amine is sourced from PubChem (CID 165039625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).