acridin-9-amine;6-[2-[2-aminoethyl(propyl)amino]ethylimino]-2-N-pentyl-2,5-dihydro-1H-1,3,5-triazine-2,4-diamine;butane-1,4-diamine;tert-butyl N-[2-[2-[[4-amino-6-(4-aminobutylamino)-1,3,5-triazin-2-yl]amino]ethyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]ethyl]carbamate;9-chloroacridine;4,6-dichloro-1,3,5-triazin-2-amine;N'-methyl-N'-propylethane-1,2-diamine

C77H128Cl3N29O4 — CID 157094302

About acridin-9-amine;6-[2-[2-aminoethyl(propyl)amino]ethylimino]-2-N-pentyl-2,5-dihydro-1H-1,3,5-triazine-2,4-diamine;butane-1,4-diamine;tert-butyl N-[2-[2-[[4-amino-6-(4-aminobutylamino)-1,3,5-triazin-2-yl]amino]ethyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]ethyl]carbamate;9-chloroacridine;4,6-dichloro-1,3,5-triazin-2-amine;N'-methyl-N'-propylethane-1,2-diamine

acridin-9-amine;6-[2-[2-aminoethyl(propyl)amino]ethylimino]-2-N-pentyl-2,5-dihydro-1H-1,3,5-triazine-2,4-diamine;butane-1,4-diamine;tert-butyl N-[2-[2-[[4-amino-6-(4-aminobutylamino)-1,3,5-triazin-2-yl]amino]ethyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]ethyl]carbamate;9-chloroacridine;4,6-dichloro-1,3,5-triazin-2-amine;N'-methyl-N'-propylethane-1,2-diamine (PubChem CID 157094302) has the molecular formula C77H128Cl3N29O4 and a molecular weight of 1630.43 g/mol. Its IUPAC name is acridin-9-amine;6-[2-[2-aminoethyl(propyl)amino]ethylimino]-2-N-pentyl-2,5-dihydro-1H-1,3,5-triazine-2,4-diamine;butane-1,4-diamine;tert-butyl N-[2-[2-[[4-amino-6-(4-aminobutylamino)-1,3,5-triazin-2-yl]amino]ethyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]ethyl]carbamate;9-chloroacridine;4,6-dichloro-1,3,5-triazin-2-amine;N'-methyl-N'-propylethane-1,2-diamine.

Molecular Properties

• Compound Name: acridin-9-amine;6-[2-[2-aminoethyl(propyl)amino]ethylimino]-2-N-pentyl-2,5-dihydro-1H-1,3,5-triazine-2,4-diamine;butane-1,4-diamine;tert-butyl N-[2-[2-[[4-amino-6-(4-aminobutylamino)-1,3,5-triazin-2-yl]amino]ethyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]ethyl]carbamate;9-chloroacridine;4,6-dichloro-1,3,5-triazin-2-amine;N'-methyl-N'-propylethane-1,2-diamine
• PubChem CID: 157094302
• Molecular Formula: C77H128Cl3N29O4
• Molecular Weight: 1630.43 g/mol
• Exact Mass: 1627.98
• IUPAC Name: acridin-9-amine;6-[2-[2-aminoethyl(propyl)amino]ethylimino]-2-N-pentyl-2,5-dihydro-1H-1,3,5-triazine-2,4-diamine;butane-1,4-diamine;tert-butyl N-[2-[2-[[4-amino-6-(4-aminobutylamino)-1,3,5-triazin-2-yl]amino]ethyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]ethyl]carbamate;9-chloroacridine;4,6-dichloro-1,3,5-triazin-2-amine;N'-methyl-N'-propylethane-1,2-diamine
• SMILES: CC(C)(C)OC(=O)NCCN(CCNC(=O)OC(C)(C)C)CCNc1nc(N)nc(NCCCCN)n1.CCCCCNC1N=C(N)N/C(=N\CCN(CCC)CCN)N1.CCCN(C)CCN.Clc1c2ccccc2nc2ccccc12.NCCCCN.Nc1c2ccccc2nc2ccccc12.Nc1nc(Cl)nc(Cl)n1
• InChI: InChI=1S/C23H46N10O4.C15H34N8.C13H8ClN.C13H10N2.C6H16N2.C4H12N2.C3H2Cl2N4/c1-22(2,3)36-20(34)28-12-15-33(16-13-29-21(35)37-23(4,5)6)14-11-27-19-31-17(25)30-18(32-19)26-10-8-7-9-24;1-3-5-6-8-18-14-20-13(17)21-15(22-14)19-9-12-23(10-4-2)11-7-16;2*14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13;1-3-5-8(2)6-4-7;5-3-1-2-4-6;4-1-7-2(5)9-3(6)8-1/h7-16,24H2,1-6H3,(H,28,34)(H,29,35)(H4,25,26,27,30,31,32);14,18H,3-12,16H2,1-2H3,(H4,17,19,20,21,22);1-8H;1-8H,(H2,14,15);3-7H2,1-2H3;1-6H2;(H2,6,7,8,9)
• InChIKey: AFAJPPTWYKQDCW-UHFFFAOYSA-N
• XLogP: 8.69
• TPSA: 508.55 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 29
• Rotatable Bonds: 34
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1630.43
LogP ≤ 5	8.69
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'amino_acridine_A(46)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of acridin-9-amine;6-[2-[2-aminoethyl(propyl)amino]ethylimino]-2-N-pentyl-2,5-dihydro-1H-1,3,5-triazine-2,4-diamine;butane-1,4-diamine;tert-butyl N-[2-[2-[[4-amino-6-(4-aminobutylamino)-1,3,5-triazin-2-yl]amino]ethyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]ethyl]carbamate;9-chloroacridine;4,6-dichloro-1,3,5-triazin-2-amine;N'-methyl-N'-propylethane-1,2-diamine?

The IUPAC name of acridin-9-amine;6-[2-[2-aminoethyl(propyl)amino]ethylimino]-2-N-pentyl-2,5-dihydro-1H-1,3,5-triazine-2,4-diamine;butane-1,4-diamine;tert-butyl N-[2-[2-[[4-amino-6-(4-aminobutylamino)-1,3,5-triazin-2-yl]amino]ethyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]ethyl]carbamate;9-chloroacridine;4,6-dichloro-1,3,5-triazin-2-amine;N'-methyl-N'-propylethane-1,2-diamine (CID 157094302) is acridin-9-amine;6-[2-[2-aminoethyl(propyl)amino]ethylimino]-2-N-pentyl-2,5-dihydro-1H-1,3,5-triazine-2,4-diamine;butane-1,4-diamine;tert-butyl N-[2-[2-[[4-amino-6-(4-aminobutylamino)-1,3,5-triazin-2-yl]amino]ethyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]ethyl]carbamate;9-chloroacridine;4,6-dichloro-1,3,5-triazin-2-amine;N'-methyl-N'-propylethane-1,2-diamine.

What is the SMILES notation for acridin-9-amine;6-[2-[2-aminoethyl(propyl)amino]ethylimino]-2-N-pentyl-2,5-dihydro-1H-1,3,5-triazine-2,4-diamine;butane-1,4-diamine;tert-butyl N-[2-[2-[[4-amino-6-(4-aminobutylamino)-1,3,5-triazin-2-yl]amino]ethyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]ethyl]carbamate;9-chloroacridine;4,6-dichloro-1,3,5-triazin-2-amine;N'-methyl-N'-propylethane-1,2-diamine?

The canonical SMILES for acridin-9-amine;6-[2-[2-aminoethyl(propyl)amino]ethylimino]-2-N-pentyl-2,5-dihydro-1H-1,3,5-triazine-2,4-diamine;butane-1,4-diamine;tert-butyl N-[2-[2-[[4-amino-6-(4-aminobutylamino)-1,3,5-triazin-2-yl]amino]ethyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]ethyl]carbamate;9-chloroacridine;4,6-dichloro-1,3,5-triazin-2-amine;N'-methyl-N'-propylethane-1,2-diamine is CC(C)(C)OC(=O)NCCN(CCNC(=O)OC(C)(C)C)CCNc1nc(N)nc(NCCCCN)n1.CCCCCNC1N=C(N)N/C(=N\CCN(CCC)CCN)N1.CCCN(C)CCN.Clc1c2ccccc2nc2ccccc12.NCCCCN.Nc1c2ccccc2nc2ccccc12.Nc1nc(Cl)nc(Cl)n1.

What is the InChIKey of acridin-9-amine;6-[2-[2-aminoethyl(propyl)amino]ethylimino]-2-N-pentyl-2,5-dihydro-1H-1,3,5-triazine-2,4-diamine;butane-1,4-diamine;tert-butyl N-[2-[2-[[4-amino-6-(4-aminobutylamino)-1,3,5-triazin-2-yl]amino]ethyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]ethyl]carbamate;9-chloroacridine;4,6-dichloro-1,3,5-triazin-2-amine;N'-methyl-N'-propylethane-1,2-diamine?

The InChIKey is AFAJPPTWYKQDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46N10O4.C15H34N8.C13H8ClN.C13H10N2.C6H16N2.C4H12N2.C3H2Cl2N4/c1-22(2,3)36-20(34)28-12-15-33(16-13-29-21(35)37-23(4,5)6)14-11-27-19-31-17(25)30-18(32-19)26-10-8-7-9-24;1-3-5-6-8-18-14-20-13(17)21-15(22-14)19-9-12-23(10-4-2)11-7-16;2*14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13;1-3-5-8(2)6-4-7;5-3-1-2-4-6;4-1-7-2(5)9-3(6)8-1/h7-16,24H2,1-6H3,(H,28,34)(H,29,35)(H4,25,26,27,30,31,32);14,18H,3-12,16H2,1-2H3,(H4,17,19,20,21,22);1-8H;1-8H,(H2,14,15);3-7H2,1-2H3;1-6H2;(H2,6,7,8,9).

What are the key properties of acridin-9-amine;6-[2-[2-aminoethyl(propyl)amino]ethylimino]-2-N-pentyl-2,5-dihydro-1H-1,3,5-triazine-2,4-diamine;butane-1,4-diamine;tert-butyl N-[2-[2-[[4-amino-6-(4-aminobutylamino)-1,3,5-triazin-2-yl]amino]ethyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]ethyl]carbamate;9-chloroacridine;4,6-dichloro-1,3,5-triazin-2-amine;N'-methyl-N'-propylethane-1,2-diamine?

acridin-9-amine;6-[2-[2-aminoethyl(propyl)amino]ethylimino]-2-N-pentyl-2,5-dihydro-1H-1,3,5-triazine-2,4-diamine;butane-1,4-diamine;tert-butyl N-[2-[2-[[4-amino-6-(4-aminobutylamino)-1,3,5-triazin-2-yl]amino]ethyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]ethyl]carbamate;9-chloroacridine;4,6-dichloro-1,3,5-triazin-2-amine;N'-methyl-N'-propylethane-1,2-diamine has a molecular weight of 1630.43 g/mol, XLogP of 8.69, 34 rotatable bonds, 16 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for acridin-9-amine;6-[2-[2-aminoethyl(propyl)amino]ethylimino]-2-N-pentyl-2,5-dihydro-1H-1,3,5-triazine-2,4-diamine;butane-1,4-diamine;tert-butyl N-[2-[2-[[4-amino-6-(4-aminobutylamino)-1,3,5-triazin-2-yl]amino]ethyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]ethyl]carbamate;9-chloroacridine;4,6-dichloro-1,3,5-triazin-2-amine;N'-methyl-N'-propylethane-1,2-diamine is sourced from PubChem (CID 157094302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).