1-N,3-N,2,2-tetramethyl-5-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]-1-N,3-N-bis(2-methylpropyl)cyclohexane-1,3-dicarboxamide

C28H52N6O2 — CID 118688345

About 1-N,3-N,2,2-tetramethyl-5-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]-1-N,3-N-bis(2-methylpropyl)cyclohexane-1,3-dicarboxamide

1-N,3-N,2,2-tetramethyl-5-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]-1-N,3-N-bis(2-methylpropyl)cyclohexane-1,3-dicarboxamide (PubChem CID 118688345) has the molecular formula C28H52N6O2 and a molecular weight of 504.76 g/mol. Its IUPAC name is 1-N,3-N,2,2-tetramethyl-5-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]-1-N,3-N-bis(2-methylpropyl)cyclohexane-1,3-dicarboxamide.

Molecular Properties

• Compound Name: 1-N,3-N,2,2-tetramethyl-5-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]-1-N,3-N-bis(2-methylpropyl)cyclohexane-1,3-dicarboxamide
• PubChem CID: 118688345
• Molecular Formula: C28H52N6O2
• Molecular Weight: 504.76 g/mol
• Exact Mass: 504.42
• IUPAC Name: 1-N,3-N,2,2-tetramethyl-5-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]-1-N,3-N-bis(2-methylpropyl)cyclohexane-1,3-dicarboxamide
• SMILES: CNCCN(C)Cc1cn[nH]c1C1CC(C(=O)N(C)CC(C)C)C(C)(C)C(C(=O)N(C)CC(C)C)C1
• InChI: InChI=1S/C28H52N6O2/c1-19(2)16-33(9)26(35)23-13-21(25-22(15-30-31-25)18-32(8)12-11-29-7)14-24(28(23,5)6)27(36)34(10)17-20(3)4/h15,19-21,23-24,29H,11-14,16-18H2,1-10H3,(H,30,31)
• InChIKey: IAIMLLKWFQHAMO-UHFFFAOYSA-N
• XLogP: 3.43
• TPSA: 84.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.76
LogP ≤ 5	3.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N,2,2-tetramethyl-5-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]-1-N,3-N-bis(2-methylpropyl)cyclohexane-1,3-dicarboxamide?

The IUPAC name of 1-N,3-N,2,2-tetramethyl-5-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]-1-N,3-N-bis(2-methylpropyl)cyclohexane-1,3-dicarboxamide (CID 118688345) is 1-N,3-N,2,2-tetramethyl-5-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]-1-N,3-N-bis(2-methylpropyl)cyclohexane-1,3-dicarboxamide.

What is the SMILES notation for 1-N,3-N,2,2-tetramethyl-5-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]-1-N,3-N-bis(2-methylpropyl)cyclohexane-1,3-dicarboxamide?

The canonical SMILES for 1-N,3-N,2,2-tetramethyl-5-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]-1-N,3-N-bis(2-methylpropyl)cyclohexane-1,3-dicarboxamide is CNCCN(C)Cc1cn[nH]c1C1CC(C(=O)N(C)CC(C)C)C(C)(C)C(C(=O)N(C)CC(C)C)C1.

What is the InChIKey of 1-N,3-N,2,2-tetramethyl-5-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]-1-N,3-N-bis(2-methylpropyl)cyclohexane-1,3-dicarboxamide?

The InChIKey is IAIMLLKWFQHAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H52N6O2/c1-19(2)16-33(9)26(35)23-13-21(25-22(15-30-31-25)18-32(8)12-11-29-7)14-24(28(23,5)6)27(36)34(10)17-20(3)4/h15,19-21,23-24,29H,11-14,16-18H2,1-10H3,(H,30,31).

What are the key properties of 1-N,3-N,2,2-tetramethyl-5-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]-1-N,3-N-bis(2-methylpropyl)cyclohexane-1,3-dicarboxamide?

1-N,3-N,2,2-tetramethyl-5-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]-1-N,3-N-bis(2-methylpropyl)cyclohexane-1,3-dicarboxamide has a molecular weight of 504.76 g/mol, XLogP of 3.43, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-N,3-N,2,2-tetramethyl-5-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]-1-N,3-N-bis(2-methylpropyl)cyclohexane-1,3-dicarboxamide is sourced from PubChem (CID 118688345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).