2-[3-aminopropyl-[3-(3-aminopropylamino)propyl]amino]-N-[(dimethylamino)methyl]acetamide;2-[3-aminopropyl-[3-[bis(3-aminopropyl)amino]propyl]amino]-N-[(dimethylamino)methyl]acetamide;N'-(3-aminopropyl)-N'-[3-[3-[bis(3-aminopropyl)amino]propyl-[(dimethylamino)methyl]amino]propyl]propane-1,3-diamine;2-[bis(3-aminopropyl)amino]-N-[(dimethylamino)methyl]acetamide;2-[bis[3-(3-aminopropylamino)propyl]amino]-N-[(dimethylamino)methyl]acetamide

C80H195N33O4 — CID 91381052

IUPAC2-[3-aminopropyl-[3-(3-aminopropylamino)propyl]amino]-N-[(dimethylamino)methyl]acetamide;2-[3-aminopropyl-[3-[bis(3-aminopropyl)amino]propyl]amino]-N-[(dimethylamino)methyl]acetamide;N'-(3-aminopropyl)-N'-[3-[3-[bis(3-aminopropyl)amino]propyl-[(dimethylamino)methyl]amino]propyl]propane-1,3-diamine;2-[bis(3-aminopropyl)amino]-N-[(dimethylamino)methyl]acetamide;2-[bis[3-(3-aminopropylamino)propyl]amino]-N-[(dimethylamino)methyl]acetamide
SMILESCN(C)CN(CCCN(CCCN)CCCN)CCCN(CCCN)CCCN.CN(C)CNC(=O)CN(CCCN)CCCN.CN(C)CNC(=O)CN(CCCN)CCCN(CCCN)CCCN.CN(C)CNC(=O)CN(CCCN)CCCNCCCN.CN(C)CNC(=O)CN(CCCNCCCN)CCCNCCCN
InChIInChI=1S/C21H52N8.2C17H41N7O.C14H34N6O.C11H27N5O/c1-26(2)21-29(19-7-17-27(13-3-9-22)14-4-10-23)20-8-18-28(15-5-11-24)16-6-12-25;1-22(2)16-21-17(25)15-24(12-5-9-20)14-6-13-23(10-3-7-18)11-4-8-19;1-23(2)16-22-17(25)15-24(13-5-11-20-9-3-7-18)14-6-12-21-10-4-8-19;1-19(2)13-18-14(21)12-20(10-4-7-16)11-5-9-17-8-3-6-15;1-15(2)10-14-11(17)9-16(7-3-5-12)8-4-6-13/h3-25H2,1-2H3;3-16,18-20H2,1-2H3,(H,21,25);20-21H,3-16,18-19H2,1-2H3,(H,22,25);17H,3-13,15-16H2,1-2H3,(H,18,21);3-10,12-13H2,1-2H3,(H,14,17)
InChIKeyWLXNEAYNPOXAGQ-UHFFFAOYSA-N
MW1683.67 g/mol
LogP-5.95
Rot. Bonds81

About 2-[3-aminopropyl-[3-(3-aminopropylamino)propyl]amino]-N-[(dimethylamino)methyl]acetamide;2-[3-aminopropyl-[3-[bis(3-aminopropyl)amino]propyl]amino]-N-[(dimethylamino)methyl]acetamide;N'-(3-aminopropyl)-N'-[3-[3-[bis(3-aminopropyl)amino]propyl-[(dimethylamino)methyl]amino]propyl]propane-1,3-diamine;2-[bis(3-aminopropyl)amino]-N-[(dimethylamino)methyl]acetamide;2-[bis[3-(3-aminopropylamino)propyl]amino]-N-[(dimethylamino)methyl]acetamide

2-[3-aminopropyl-[3-(3-aminopropylamino)propyl]amino]-N-[(dimethylamino)methyl]acetamide;2-[3-aminopropyl-[3-[bis(3-aminopropyl)amino]propyl]amino]-N-[(dimethylamino)methyl]acetamide;N'-(3-aminopropyl)-N'-[3-[3-[bis(3-aminopropyl)amino]propyl-[(dimethylamino)methyl]amino]propyl]propane-1,3-diamine;2-[bis(3-aminopropyl)amino]-N-[(dimethylamino)methyl]acetamide;2-[bis[3-(3-aminopropylamino)propyl]amino]-N-[(dimethylamino)methyl]acetamide (PubChem CID 91381052) has the molecular formula C80H195N33O4 and a molecular weight of 1683.67 g/mol. Its IUPAC name is 2-[3-aminopropyl-[3-(3-aminopropylamino)propyl]amino]-N-[(dimethylamino)methyl]acetamide;2-[3-aminopropyl-[3-[bis(3-aminopropyl)amino]propyl]amino]-N-[(dimethylamino)methyl]acetamide;N'-(3-aminopropyl)-N'-[3-[3-[bis(3-aminopropyl)amino]propyl-[(dimethylamino)methyl]amino]propyl]propane-1,3-diamine;2-[bis(3-aminopropyl)amino]-N-[(dimethylamino)methyl]acetamide;2-[bis[3-(3-aminopropylamino)propyl]amino]-N-[(dimethylamino)methyl]acetamide.

Molecular Properties

Compound Name2-[3-aminopropyl-[3-(3-aminopropylamino)propyl]amino]-N-[(dimethylamino)methyl]acetamide;2-[3-aminopropyl-[3-[bis(3-aminopropyl)amino]propyl]amino]-N-[(dimethylamino)methyl]acetamide;N'-(3-aminopropyl)-N'-[3-[3-[bis(3-aminopropyl)amino]propyl-[(dimethylamino)methyl]amino]propyl]propane-1,3-diamine;2-[bis(3-aminopropyl)amino]-N-[(dimethylamino)methyl]acetamide;2-[bis[3-(3-aminopropylamino)propyl]amino]-N-[(dimethylamino)methyl]acetamide
PubChem CID91381052
Molecular FormulaC80H195N33O4
Molecular Weight1683.67 g/mol
Exact Mass1682.61
IUPAC Name2-[3-aminopropyl-[3-(3-aminopropylamino)propyl]amino]-N-[(dimethylamino)methyl]acetamide;2-[3-aminopropyl-[3-[bis(3-aminopropyl)amino]propyl]amino]-N-[(dimethylamino)methyl]acetamide;N'-(3-aminopropyl)-N'-[3-[3-[bis(3-aminopropyl)amino]propyl-[(dimethylamino)methyl]amino]propyl]propane-1,3-diamine;2-[bis(3-aminopropyl)amino]-N-[(dimethylamino)methyl]acetamide;2-[bis[3-(3-aminopropylamino)propyl]amino]-N-[(dimethylamino)methyl]acetamide
SMILESCN(C)CN(CCCN(CCCN)CCCN)CCCN(CCCN)CCCN.CN(C)CNC(=O)CN(CCCN)CCCN.CN(C)CNC(=O)CN(CCCN)CCCN(CCCN)CCCN.CN(C)CNC(=O)CN(CCCN)CCCNCCCN.CN(C)CNC(=O)CN(CCCNCCCN)CCCNCCCN
InChIInChI=1S/C21H52N8.2C17H41N7O.C14H34N6O.C11H27N5O/c1-26(2)21-29(19-7-17-27(13-3-9-22)14-4-10-23)20-8-18-28(15-5-11-24)16-6-12-25;1-22(2)16-21-17(25)15-24(12-5-9-20)14-6-13-23(10-3-7-18)11-4-8-19;1-23(2)16-22-17(25)15-24(13-5-11-20-9-3-7-18)14-6-12-21-10-4-8-19;1-19(2)13-18-14(21)12-20(10-4-7-16)11-5-9-17-8-3-6-15;1-15(2)10-14-11(17)9-16(7-3-5-12)8-4-6-13/h3-25H2,1-2H3;3-16,18-20H2,1-2H3,(H,21,25);20-21H,3-16,18-19H2,1-2H3,(H,22,25);17H,3-13,15-16H2,1-2H3,(H,18,21);3-10,12-13H2,1-2H3,(H,14,17)
InChIKeyWLXNEAYNPOXAGQ-UHFFFAOYSA-N
XLogP-5.95
TPSA532.87 Ų
H-Bond Donors20
H-Bond Acceptors33
Rotatable Bonds81
Heavy Atoms117
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001683.67
LogP ≤ 5-5.95
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-[3-aminopropyl-[3-(3-aminopropylamino)propyl]amino]-N-[(dimethylamino)methyl]acetamide;2-[3-aminopropyl-[3-[bis(3-aminopropyl)amino]propyl]amino]-N-[(dimethylamino)methyl]acetamide;N'-(3-aminopropyl)-N'-[3-[3-[bis(3-aminopropyl)amino]propyl-[(dimethylamino)methyl]amino]propyl]propane-1,3-diamine;2-[bis(3-aminopropyl)amino]-N-[(dimethylamino)methyl]acetamide;2-[bis[3-(3-aminopropylamino)propyl]amino]-N-[(dimethylamino)methyl]acetamide with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-[3-aminopropyl-[3-(3-aminopropylamino)propyl]amino]-N-[(dimethylamino)methyl]acetamide;2-[3-aminopropyl-[3-[bis(3-aminopropyl)amino]propyl]amino]-N-[(dimethylamino)methyl]acetamide;N'-(3-aminopropyl)-N'-[3-[3-[bis(3-aminopropyl)amino]propyl-[(dimethylamino)methyl]amino]propyl]propane-1,3-diamine;2-[bis(3-aminopropyl)amino]-N-[(dimethylamino)methyl]acetamide;2-[bis[3-(3-aminopropylamino)propyl]amino]-N-[(dimethylamino)methyl]acetamide?
The IUPAC name of 2-[3-aminopropyl-[3-(3-aminopropylamino)propyl]amino]-N-[(dimethylamino)methyl]acetamide;2-[3-aminopropyl-[3-[bis(3-aminopropyl)amino]propyl]amino]-N-[(dimethylamino)methyl]acetamide;N'-(3-aminopropyl)-N'-[3-[3-[bis(3-aminopropyl)amino]propyl-[(dimethylamino)methyl]amino]propyl]propane-1,3-diamine;2-[bis(3-aminopropyl)amino]-N-[(dimethylamino)methyl]acetamide;2-[bis[3-(3-aminopropylamino)propyl]amino]-N-[(dimethylamino)methyl]acetamide (CID 91381052) is 2-[3-aminopropyl-[3-(3-aminopropylamino)propyl]amino]-N-[(dimethylamino)methyl]acetamide;2-[3-aminopropyl-[3-[bis(3-aminopropyl)amino]propyl]amino]-N-[(dimethylamino)methyl]acetamide;N'-(3-aminopropyl)-N'-[3-[3-[bis(3-aminopropyl)amino]propyl-[(dimethylamino)methyl]amino]propyl]propane-1,3-diamine;2-[bis(3-aminopropyl)amino]-N-[(dimethylamino)methyl]acetamide;2-[bis[3-(3-aminopropylamino)propyl]amino]-N-[(dimethylamino)methyl]acetamide.
What is the SMILES notation for 2-[3-aminopropyl-[3-(3-aminopropylamino)propyl]amino]-N-[(dimethylamino)methyl]acetamide;2-[3-aminopropyl-[3-[bis(3-aminopropyl)amino]propyl]amino]-N-[(dimethylamino)methyl]acetamide;N'-(3-aminopropyl)-N'-[3-[3-[bis(3-aminopropyl)amino]propyl-[(dimethylamino)methyl]amino]propyl]propane-1,3-diamine;2-[bis(3-aminopropyl)amino]-N-[(dimethylamino)methyl]acetamide;2-[bis[3-(3-aminopropylamino)propyl]amino]-N-[(dimethylamino)methyl]acetamide?
The canonical SMILES for 2-[3-aminopropyl-[3-(3-aminopropylamino)propyl]amino]-N-[(dimethylamino)methyl]acetamide;2-[3-aminopropyl-[3-[bis(3-aminopropyl)amino]propyl]amino]-N-[(dimethylamino)methyl]acetamide;N'-(3-aminopropyl)-N'-[3-[3-[bis(3-aminopropyl)amino]propyl-[(dimethylamino)methyl]amino]propyl]propane-1,3-diamine;2-[bis(3-aminopropyl)amino]-N-[(dimethylamino)methyl]acetamide;2-[bis[3-(3-aminopropylamino)propyl]amino]-N-[(dimethylamino)methyl]acetamide is CN(C)CN(CCCN(CCCN)CCCN)CCCN(CCCN)CCCN.CN(C)CNC(=O)CN(CCCN)CCCN.CN(C)CNC(=O)CN(CCCN)CCCN(CCCN)CCCN.CN(C)CNC(=O)CN(CCCN)CCCNCCCN.CN(C)CNC(=O)CN(CCCNCCCN)CCCNCCCN.
What is the InChIKey of 2-[3-aminopropyl-[3-(3-aminopropylamino)propyl]amino]-N-[(dimethylamino)methyl]acetamide;2-[3-aminopropyl-[3-[bis(3-aminopropyl)amino]propyl]amino]-N-[(dimethylamino)methyl]acetamide;N'-(3-aminopropyl)-N'-[3-[3-[bis(3-aminopropyl)amino]propyl-[(dimethylamino)methyl]amino]propyl]propane-1,3-diamine;2-[bis(3-aminopropyl)amino]-N-[(dimethylamino)methyl]acetamide;2-[bis[3-(3-aminopropylamino)propyl]amino]-N-[(dimethylamino)methyl]acetamide?
The InChIKey is WLXNEAYNPOXAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H52N8.2C17H41N7O.C14H34N6O.C11H27N5O/c1-26(2)21-29(19-7-17-27(13-3-9-22)14-4-10-23)20-8-18-28(15-5-11-24)16-6-12-25;1-22(2)16-21-17(25)15-24(12-5-9-20)14-6-13-23(10-3-7-18)11-4-8-19;1-23(2)16-22-17(25)15-24(13-5-11-20-9-3-7-18)14-6-12-21-10-4-8-19;1-19(2)13-18-14(21)12-20(10-4-7-16)11-5-9-17-8-3-6-15;1-15(2)10-14-11(17)9-16(7-3-5-12)8-4-6-13/h3-25H2,1-2H3;3-16,18-20H2,1-2H3,(H,21,25);20-21H,3-16,18-19H2,1-2H3,(H,22,25);17H,3-13,15-16H2,1-2H3,(H,18,21);3-10,12-13H2,1-2H3,(H,14,17).
What are the key properties of 2-[3-aminopropyl-[3-(3-aminopropylamino)propyl]amino]-N-[(dimethylamino)methyl]acetamide;2-[3-aminopropyl-[3-[bis(3-aminopropyl)amino]propyl]amino]-N-[(dimethylamino)methyl]acetamide;N'-(3-aminopropyl)-N'-[3-[3-[bis(3-aminopropyl)amino]propyl-[(dimethylamino)methyl]amino]propyl]propane-1,3-diamine;2-[bis(3-aminopropyl)amino]-N-[(dimethylamino)methyl]acetamide;2-[bis[3-(3-aminopropylamino)propyl]amino]-N-[(dimethylamino)methyl]acetamide?
2-[3-aminopropyl-[3-(3-aminopropylamino)propyl]amino]-N-[(dimethylamino)methyl]acetamide;2-[3-aminopropyl-[3-[bis(3-aminopropyl)amino]propyl]amino]-N-[(dimethylamino)methyl]acetamide;N'-(3-aminopropyl)-N'-[3-[3-[bis(3-aminopropyl)amino]propyl-[(dimethylamino)methyl]amino]propyl]propane-1,3-diamine;2-[bis(3-aminopropyl)amino]-N-[(dimethylamino)methyl]acetamide;2-[bis[3-(3-aminopropylamino)propyl]amino]-N-[(dimethylamino)methyl]acetamide has a molecular weight of 1683.67 g/mol, XLogP of -5.95, 81 rotatable bonds, 20 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-aminopropyl-[3-(3-aminopropylamino)propyl]amino]-N-[(dimethylamino)methyl]acetamide;2-[3-aminopropyl-[3-[bis(3-aminopropyl)amino]propyl]amino]-N-[(dimethylamino)methyl]acetamide;N'-(3-aminopropyl)-N'-[3-[3-[bis(3-aminopropyl)amino]propyl-[(dimethylamino)methyl]amino]propyl]propane-1,3-diamine;2-[bis(3-aminopropyl)amino]-N-[(dimethylamino)methyl]acetamide;2-[bis[3-(3-aminopropylamino)propyl]amino]-N-[(dimethylamino)methyl]acetamide is sourced from PubChem (CID 91381052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).