N-[2-[[2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-6-ylcarbamoylamino)-6-methyl-1,3-diazinan-4-yl]amino]ethyl]acetamide;N-[3-[[2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-6-ylcarbamoylamino)-6-methyl-1,3-diazinan-4-yl]amino]propyl]acetamide

C39H76N14O4 — CID 142295463

About N-[2-[[2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-6-ylcarbamoylamino)-6-methyl-1,3-diazinan-4-yl]amino]ethyl]acetamide;N-[3-[[2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-6-ylcarbamoylamino)-6-methyl-1,3-diazinan-4-yl]amino]propyl]acetamide

N-[2-[[2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-6-ylcarbamoylamino)-6-methyl-1,3-diazinan-4-yl]amino]ethyl]acetamide;N-[3-[[2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-6-ylcarbamoylamino)-6-methyl-1,3-diazinan-4-yl]amino]propyl]acetamide (PubChem CID 142295463) has the molecular formula C39H76N14O4 and a molecular weight of 805.13 g/mol. Its IUPAC name is N-[2-[[2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-6-ylcarbamoylamino)-6-methyl-1,3-diazinan-4-yl]amino]ethyl]acetamide;N-[3-[[2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-6-ylcarbamoylamino)-6-methyl-1,3-diazinan-4-yl]amino]propyl]acetamide.

Molecular Properties

• Compound Name: N-[2-[[2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-6-ylcarbamoylamino)-6-methyl-1,3-diazinan-4-yl]amino]ethyl]acetamide;N-[3-[[2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-6-ylcarbamoylamino)-6-methyl-1,3-diazinan-4-yl]amino]propyl]acetamide
• PubChem CID: 142295463
• Molecular Formula: C39H76N14O4
• Molecular Weight: 805.13 g/mol
• Exact Mass: 804.62
• IUPAC Name: N-[2-[[2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-6-ylcarbamoylamino)-6-methyl-1,3-diazinan-4-yl]amino]ethyl]acetamide;N-[3-[[2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-6-ylcarbamoylamino)-6-methyl-1,3-diazinan-4-yl]amino]propyl]acetamide
• SMILES: CC(=O)NCCCNC1CC(C)NC(NC(=O)NC2CCC3NCCCC3C2)N1.CC(=O)NCCNC1CC(C)NC(NC(=O)NC2CCC3NCCCC3C2)N1
• InChI: InChI=1S/C20H39N7O2.C19H37N7O2/c1-13-11-18(23-10-4-9-21-14(2)28)26-19(24-13)27-20(29)25-16-6-7-17-15(12-16)5-3-8-22-17;1-12-10-17(22-9-8-20-13(2)27)25-18(23-12)26-19(28)24-15-5-6-16-14(11-15)4-3-7-21-16/h13,15-19,22-24,26H,3-12H2,1-2H3,(H,21,28)(H2,25,27,29);12,14-18,21-23,25H,3-11H2,1-2H3,(H,20,27)(H2,24,26,28)
• InChIKey: QJZOTPDXRVUFGG-UHFFFAOYSA-N
• XLogP: -0.58
• TPSA: 236.70 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 12
• Rotatable Bonds: 13
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	805.13
LogP ≤ 5	-0.58
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-6-ylcarbamoylamino)-6-methyl-1,3-diazinan-4-yl]amino]ethyl]acetamide;N-[3-[[2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-6-ylcarbamoylamino)-6-methyl-1,3-diazinan-4-yl]amino]propyl]acetamide?

The IUPAC name of N-[2-[[2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-6-ylcarbamoylamino)-6-methyl-1,3-diazinan-4-yl]amino]ethyl]acetamide;N-[3-[[2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-6-ylcarbamoylamino)-6-methyl-1,3-diazinan-4-yl]amino]propyl]acetamide (CID 142295463) is N-[2-[[2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-6-ylcarbamoylamino)-6-methyl-1,3-diazinan-4-yl]amino]ethyl]acetamide;N-[3-[[2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-6-ylcarbamoylamino)-6-methyl-1,3-diazinan-4-yl]amino]propyl]acetamide.

What is the SMILES notation for N-[2-[[2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-6-ylcarbamoylamino)-6-methyl-1,3-diazinan-4-yl]amino]ethyl]acetamide;N-[3-[[2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-6-ylcarbamoylamino)-6-methyl-1,3-diazinan-4-yl]amino]propyl]acetamide?

The canonical SMILES for N-[2-[[2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-6-ylcarbamoylamino)-6-methyl-1,3-diazinan-4-yl]amino]ethyl]acetamide;N-[3-[[2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-6-ylcarbamoylamino)-6-methyl-1,3-diazinan-4-yl]amino]propyl]acetamide is CC(=O)NCCCNC1CC(C)NC(NC(=O)NC2CCC3NCCCC3C2)N1.CC(=O)NCCNC1CC(C)NC(NC(=O)NC2CCC3NCCCC3C2)N1.

What is the InChIKey of N-[2-[[2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-6-ylcarbamoylamino)-6-methyl-1,3-diazinan-4-yl]amino]ethyl]acetamide;N-[3-[[2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-6-ylcarbamoylamino)-6-methyl-1,3-diazinan-4-yl]amino]propyl]acetamide?

The InChIKey is QJZOTPDXRVUFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39N7O2.C19H37N7O2/c1-13-11-18(23-10-4-9-21-14(2)28)26-19(24-13)27-20(29)25-16-6-7-17-15(12-16)5-3-8-22-17;1-12-10-17(22-9-8-20-13(2)27)25-18(23-12)26-19(28)24-15-5-6-16-14(11-15)4-3-7-21-16/h13,15-19,22-24,26H,3-12H2,1-2H3,(H,21,28)(H2,25,27,29);12,14-18,21-23,25H,3-11H2,1-2H3,(H,20,27)(H2,24,26,28).

What are the key properties of N-[2-[[2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-6-ylcarbamoylamino)-6-methyl-1,3-diazinan-4-yl]amino]ethyl]acetamide;N-[3-[[2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-6-ylcarbamoylamino)-6-methyl-1,3-diazinan-4-yl]amino]propyl]acetamide?

N-[2-[[2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-6-ylcarbamoylamino)-6-methyl-1,3-diazinan-4-yl]amino]ethyl]acetamide;N-[3-[[2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-6-ylcarbamoylamino)-6-methyl-1,3-diazinan-4-yl]amino]propyl]acetamide has a molecular weight of 805.13 g/mol, XLogP of -0.58, 13 rotatable bonds, 14 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-6-ylcarbamoylamino)-6-methyl-1,3-diazinan-4-yl]amino]ethyl]acetamide;N-[3-[[2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-6-ylcarbamoylamino)-6-methyl-1,3-diazinan-4-yl]amino]propyl]acetamide is sourced from PubChem (CID 142295463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).