30-ethyl-33-[1-hydroxy-2-methyl-4-(methylamino)butyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone;methanamine

C62H117N13O12 — CID 90873656

About 30-ethyl-33-[1-hydroxy-2-methyl-4-(methylamino)butyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone;methanamine

30-ethyl-33-[1-hydroxy-2-methyl-4-(methylamino)butyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone;methanamine (PubChem CID 90873656) has the molecular formula C62H117N13O12 and a molecular weight of 1236.70 g/mol. Its IUPAC name is 30-ethyl-33-[1-hydroxy-2-methyl-4-(methylamino)butyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone;methanamine.

Molecular Properties

• Compound Name: 30-ethyl-33-[1-hydroxy-2-methyl-4-(methylamino)butyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone;methanamine
• PubChem CID: 90873656
• Molecular Formula: C62H117N13O12
• Molecular Weight: 1236.70 g/mol
• Exact Mass: 1235.89
• IUPAC Name: 30-ethyl-33-[1-hydroxy-2-methyl-4-(methylamino)butyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone;methanamine
• SMILES: CCC1NC(=O)C(C(O)C(C)CCNC)N(C)C(=O)C(C(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(C)NC(=O)C(C)NC(=O)C(CC(C)C)N(C)C(=O)C(C(C)C)NC(=O)C(CC(C)C)N(C)C(=O)CN(C)C1=O.CN
• InChI: InChI=1S/C61H112N12O12.CH5N/c1-25-42-57(81)67(18)32-47(74)68(19)43(28-33(2)3)54(78)66-48(37(10)11)60(84)69(20)44(29-34(4)5)53(77)63-40(15)52(76)64-41(16)56(80)70(21)45(30-35(6)7)58(82)71(22)46(31-36(8)9)59(83)72(23)49(38(12)13)61(85)73(24)50(55(79)65-42)51(75)39(14)26-27-62-17;1-2/h33-46,48-51,62,75H,25-32H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78);2H2,1H3
• InChIKey: PEWMIGAXGWTJMW-UHFFFAOYSA-N
• XLogP: 1.49
• TPSA: 316.85 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 14
• Rotatable Bonds: 16
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1236.70
LogP ≤ 5	1.49
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 30-ethyl-33-[1-hydroxy-2-methyl-4-(methylamino)butyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone;methanamine?

The IUPAC name of 30-ethyl-33-[1-hydroxy-2-methyl-4-(methylamino)butyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone;methanamine (CID 90873656) is 30-ethyl-33-[1-hydroxy-2-methyl-4-(methylamino)butyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone;methanamine.

What is the SMILES notation for 30-ethyl-33-[1-hydroxy-2-methyl-4-(methylamino)butyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone;methanamine?

The canonical SMILES for 30-ethyl-33-[1-hydroxy-2-methyl-4-(methylamino)butyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone;methanamine is CCC1NC(=O)C(C(O)C(C)CCNC)N(C)C(=O)C(C(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(C)NC(=O)C(C)NC(=O)C(CC(C)C)N(C)C(=O)C(C(C)C)NC(=O)C(CC(C)C)N(C)C(=O)CN(C)C1=O.CN.

What is the InChIKey of 30-ethyl-33-[1-hydroxy-2-methyl-4-(methylamino)butyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone;methanamine?

The InChIKey is PEWMIGAXGWTJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H112N12O12.CH5N/c1-25-42-57(81)67(18)32-47(74)68(19)43(28-33(2)3)54(78)66-48(37(10)11)60(84)69(20)44(29-34(4)5)53(77)63-40(15)52(76)64-41(16)56(80)70(21)45(30-35(6)7)58(82)71(22)46(31-36(8)9)59(83)72(23)49(38(12)13)61(85)73(24)50(55(79)65-42)51(75)39(14)26-27-62-17;1-2/h33-46,48-51,62,75H,25-32H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78);2H2,1H3.

What are the key properties of 30-ethyl-33-[1-hydroxy-2-methyl-4-(methylamino)butyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone;methanamine?

30-ethyl-33-[1-hydroxy-2-methyl-4-(methylamino)butyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone;methanamine has a molecular weight of 1236.70 g/mol, XLogP of 1.49, 16 rotatable bonds, 7 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 30-ethyl-33-[1-hydroxy-2-methyl-4-(methylamino)butyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone;methanamine is sourced from PubChem (CID 90873656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).