N-(2-aminoethyl)-N-[2-[[2-[[2-[2-aminoethyl-[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-(2-ethylhexyl)amino]-2-oxoethyl]-decylamino]-2-oxoethyl]-(2-ethylhexyl)amino]-2-oxoethyl]-decylamino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-2-(3-aminopropylamino)acetamide

C97H157N15O11 — CID 159319028

About N-(2-aminoethyl)-N-[2-[[2-[[2-[2-aminoethyl-[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-(2-ethylhexyl)amino]-2-oxoethyl]-decylamino]-2-oxoethyl]-(2-ethylhexyl)amino]-2-oxoethyl]-decylamino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-2-(3-aminopropylamino)acetamide

N-(2-aminoethyl)-N-[2-[[2-[[2-[2-aminoethyl-[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-(2-ethylhexyl)amino]-2-oxoethyl]-decylamino]-2-oxoethyl]-(2-ethylhexyl)amino]-2-oxoethyl]-decylamino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-2-(3-aminopropylamino)acetamide (PubChem CID 159319028) has the molecular formula C97H157N15O11 and a molecular weight of 1709.42 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-[2-[[2-[[2-[2-aminoethyl-[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-(2-ethylhexyl)amino]-2-oxoethyl]-decylamino]-2-oxoethyl]-(2-ethylhexyl)amino]-2-oxoethyl]-decylamino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-2-(3-aminopropylamino)acetamide.

Molecular Properties

• Compound Name: N-(2-aminoethyl)-N-[2-[[2-[[2-[2-aminoethyl-[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-(2-ethylhexyl)amino]-2-oxoethyl]-decylamino]-2-oxoethyl]-(2-ethylhexyl)amino]-2-oxoethyl]-decylamino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-2-(3-aminopropylamino)acetamide
• PubChem CID: 159319028
• Molecular Formula: C97H157N15O11
• Molecular Weight: 1709.42 g/mol
• Exact Mass: 1708.22
• IUPAC Name: N-(2-aminoethyl)-N-[2-[[2-[[2-[2-aminoethyl-[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-(2-ethylhexyl)amino]-2-oxoethyl]-decylamino]-2-oxoethyl]-(2-ethylhexyl)amino]-2-oxoethyl]-decylamino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-2-(3-aminopropylamino)acetamide
• SMILES: CCCCCCCCCCN(CC(=O)N(CC(=O)N(CCCCCCCCCC)CC(=O)N(CC(N)=O)CC(CC)CCCC)CC(CC)CCCC)C(=O)CN(CCc1ccccc1)C(=O)CN(CCc1ccccc1)C(=O)CN(CCN)C(=O)CN(CCc1ccccc1)C(=O)CN(CCc1ccccc1)C(=O)CN(CCN)C(=O)CNCCCN
• InChI: InChI=1S/C97H157N15O11/c1-7-13-17-19-21-23-25-39-60-103(79-97(123)112(70-82(12-6)43-16-10-4)80-95(121)104(61-40-26-24-22-20-18-14-8-2)78-96(122)111(71-87(101)113)69-81(11-5)42-15-9-3)89(115)72-105(62-52-83-44-31-27-32-45-83)90(116)74-107(64-54-85-48-35-29-36-49-85)93(119)77-110(67-58-100)94(120)75-108(65-55-86-50-37-30-38-51-86)91(117)73-106(63-53-84-46-33-28-34-47-84)92(118)76-109(66-57-99)88(114)68-102-59-41-56-98/h27-38,44-51,81-82,102H,7-26,39-43,52-80,98-100H2,1-6H3,(H2,101,113)
• InChIKey: LDNAKBMPCHZSDM-UHFFFAOYSA-N
• XLogP: 10.30
• TPSA: 336.28 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 15
• Rotatable Bonds: 71
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1709.42
LogP ≤ 5	10.30
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-[2-[[2-[[2-[2-aminoethyl-[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-(2-ethylhexyl)amino]-2-oxoethyl]-decylamino]-2-oxoethyl]-(2-ethylhexyl)amino]-2-oxoethyl]-decylamino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-2-(3-aminopropylamino)acetamide?

The IUPAC name of N-(2-aminoethyl)-N-[2-[[2-[[2-[2-aminoethyl-[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-(2-ethylhexyl)amino]-2-oxoethyl]-decylamino]-2-oxoethyl]-(2-ethylhexyl)amino]-2-oxoethyl]-decylamino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-2-(3-aminopropylamino)acetamide (CID 159319028) is N-(2-aminoethyl)-N-[2-[[2-[[2-[2-aminoethyl-[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-(2-ethylhexyl)amino]-2-oxoethyl]-decylamino]-2-oxoethyl]-(2-ethylhexyl)amino]-2-oxoethyl]-decylamino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-2-(3-aminopropylamino)acetamide.

What is the SMILES notation for N-(2-aminoethyl)-N-[2-[[2-[[2-[2-aminoethyl-[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-(2-ethylhexyl)amino]-2-oxoethyl]-decylamino]-2-oxoethyl]-(2-ethylhexyl)amino]-2-oxoethyl]-decylamino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-2-(3-aminopropylamino)acetamide?

The canonical SMILES for N-(2-aminoethyl)-N-[2-[[2-[[2-[2-aminoethyl-[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-(2-ethylhexyl)amino]-2-oxoethyl]-decylamino]-2-oxoethyl]-(2-ethylhexyl)amino]-2-oxoethyl]-decylamino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-2-(3-aminopropylamino)acetamide is CCCCCCCCCCN(CC(=O)N(CC(=O)N(CCCCCCCCCC)CC(=O)N(CC(N)=O)CC(CC)CCCC)CC(CC)CCCC)C(=O)CN(CCc1ccccc1)C(=O)CN(CCc1ccccc1)C(=O)CN(CCN)C(=O)CN(CCc1ccccc1)C(=O)CN(CCc1ccccc1)C(=O)CN(CCN)C(=O)CNCCCN.

What is the InChIKey of N-(2-aminoethyl)-N-[2-[[2-[[2-[2-aminoethyl-[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-(2-ethylhexyl)amino]-2-oxoethyl]-decylamino]-2-oxoethyl]-(2-ethylhexyl)amino]-2-oxoethyl]-decylamino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-2-(3-aminopropylamino)acetamide?

The InChIKey is LDNAKBMPCHZSDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C97H157N15O11/c1-7-13-17-19-21-23-25-39-60-103(79-97(123)112(70-82(12-6)43-16-10-4)80-95(121)104(61-40-26-24-22-20-18-14-8-2)78-96(122)111(71-87(101)113)69-81(11-5)42-15-9-3)89(115)72-105(62-52-83-44-31-27-32-45-83)90(116)74-107(64-54-85-48-35-29-36-49-85)93(119)77-110(67-58-100)94(120)75-108(65-55-86-50-37-30-38-51-86)91(117)73-106(63-53-84-46-33-28-34-47-84)92(118)76-109(66-57-99)88(114)68-102-59-41-56-98/h27-38,44-51,81-82,102H,7-26,39-43,52-80,98-100H2,1-6H3,(H2,101,113).

What are the key properties of N-(2-aminoethyl)-N-[2-[[2-[[2-[2-aminoethyl-[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-(2-ethylhexyl)amino]-2-oxoethyl]-decylamino]-2-oxoethyl]-(2-ethylhexyl)amino]-2-oxoethyl]-decylamino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-2-(3-aminopropylamino)acetamide?

N-(2-aminoethyl)-N-[2-[[2-[[2-[2-aminoethyl-[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-(2-ethylhexyl)amino]-2-oxoethyl]-decylamino]-2-oxoethyl]-(2-ethylhexyl)amino]-2-oxoethyl]-decylamino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-2-(3-aminopropylamino)acetamide has a molecular weight of 1709.42 g/mol, XLogP of 10.30, 71 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-aminoethyl)-N-[2-[[2-[[2-[2-aminoethyl-[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-(2-ethylhexyl)amino]-2-oxoethyl]-decylamino]-2-oxoethyl]-(2-ethylhexyl)amino]-2-oxoethyl]-decylamino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-2-(3-aminopropylamino)acetamide is sourced from PubChem (CID 159319028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).