[3-(5-aminopentylamino)phenyl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone;[4-(5-aminopentylamino)phenyl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone;N'-cyclohexylpentane-1,5-diamine;N'-cyclopropylpentane-1,5-diamine;N-[5-[3,5-difluoro-4-(trifluoromethyl)anilino]pentyl]propane-2-sulfonamide;N'-(4-fluorophenyl)pentane-1,5-diamine;N'-(4-methoxyphenyl)pentane-1,5-diamine;N'-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)pentane-1,5-diamine;octakis(propane-2-sulfinate);N'-[[4-(trifluoromethyl)phenyl]methyl]pentane-1,5-diamine

C146H259F9N20O23S9-8 — CID 158381530

About [3-(5-aminopentylamino)phenyl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone;[4-(5-aminopentylamino)phenyl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone;N'-cyclohexylpentane-1,5-diamine;N'-cyclopropylpentane-1,5-diamine;N-[5-[3,5-difluoro-4-(trifluoromethyl)anilino]pentyl]propane-2-sulfonamide;N'-(4-fluorophenyl)pentane-1,5-diamine;N'-(4-methoxyphenyl)pentane-1,5-diamine;N'-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)pentane-1,5-diamine;octakis(propane-2-sulfinate);N'-[[4-(trifluoromethyl)phenyl]methyl]pentane-1,5-diamine

[3-(5-aminopentylamino)phenyl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone;[4-(5-aminopentylamino)phenyl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone;N'-cyclohexylpentane-1,5-diamine;N'-cyclopropylpentane-1,5-diamine;N-[5-[3,5-difluoro-4-(trifluoromethyl)anilino]pentyl]propane-2-sulfonamide;N'-(4-fluorophenyl)pentane-1,5-diamine;N'-(4-methoxyphenyl)pentane-1,5-diamine;N'-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)pentane-1,5-diamine;octakis(propane-2-sulfinate);N'-[[4-(trifluoromethyl)phenyl]methyl]pentane-1,5-diamine (PubChem CID 158381530) has the molecular formula C146H259F9N20O23S9-8 and a molecular weight of 3122.38 g/mol. Its IUPAC name is [3-(5-aminopentylamino)phenyl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone;[4-(5-aminopentylamino)phenyl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone;N'-cyclohexylpentane-1,5-diamine;N'-cyclopropylpentane-1,5-diamine;N-[5-[3,5-difluoro-4-(trifluoromethyl)anilino]pentyl]propane-2-sulfonamide;N'-(4-fluorophenyl)pentane-1,5-diamine;N'-(4-methoxyphenyl)pentane-1,5-diamine;N'-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)pentane-1,5-diamine;octakis(propane-2-sulfinate);N'-[[4-(trifluoromethyl)phenyl]methyl]pentane-1,5-diamine.

Molecular Properties

• Compound Name: [3-(5-aminopentylamino)phenyl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone;[4-(5-aminopentylamino)phenyl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone;N'-cyclohexylpentane-1,5-diamine;N'-cyclopropylpentane-1,5-diamine;N-[5-[3,5-difluoro-4-(trifluoromethyl)anilino]pentyl]propane-2-sulfonamide;N'-(4-fluorophenyl)pentane-1,5-diamine;N'-(4-methoxyphenyl)pentane-1,5-diamine;N'-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)pentane-1,5-diamine;octakis(propane-2-sulfinate);N'-[[4-(trifluoromethyl)phenyl]methyl]pentane-1,5-diamine
• PubChem CID: 158381530
• Molecular Formula: C146H259F9N20O23S9-8
• Molecular Weight: 3122.38 g/mol
• Exact Mass: 3119.71
• IUPAC Name: [3-(5-aminopentylamino)phenyl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone;[4-(5-aminopentylamino)phenyl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone;N'-cyclohexylpentane-1,5-diamine;N'-cyclopropylpentane-1,5-diamine;N-[5-[3,5-difluoro-4-(trifluoromethyl)anilino]pentyl]propane-2-sulfonamide;N'-(4-fluorophenyl)pentane-1,5-diamine;N'-(4-methoxyphenyl)pentane-1,5-diamine;N'-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)pentane-1,5-diamine;octakis(propane-2-sulfinate);N'-[[4-(trifluoromethyl)phenyl]methyl]pentane-1,5-diamine
• SMILES: CC(C)S(=O)(=O)NCCCCCNc1cc(F)c(C(F)(F)F)c(F)c1.CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].COc1ccc(NCCCCCN)cc1.C[C@@H]1CN(C(=O)c2ccc(NCCCCCN)cc2)C[C@H](C)O1.C[C@@H]1CN(C(=O)c2cccc(NCCCCCN)c2)C[C@H](C)O1.Cc1ccc(NCCCCCN)c2c1CCCC2.NCCCCCNC1CC1.NCCCCCNC1CCCCC1.NCCCCCNCc1ccc(C(F)(F)F)cc1.NCCCCCNc1ccc(F)cc1
• InChI: InChI=1S/2C18H29N3O2.C16H26N2.C15H21F5N2O2S.C13H19F3N2.C12H20N2O.C11H17FN2.C11H24N2.C8H18N2.8C3H8O2S/c1-14-12-21(13-15(2)23-14)18(22)16-6-8-17(9-7-16)20-11-5-3-4-10-19;1-14-12-21(13-15(2)23-14)18(22)16-7-6-8-17(11-16)20-10-5-3-4-9-19;1-13-9-10-16(18-12-6-2-5-11-17)15-8-4-3-7-14(13)15;1-10(2)25(23,24)22-7-5-3-4-6-21-11-8-12(16)14(13(17)9-11)15(18,19)20;14-13(15,16)12-6-4-11(5-7-12)10-18-9-3-1-2-8-17;1-15-12-7-5-11(6-8-12)14-10-4-2-3-9-13;12-10-4-6-11(7-5-10)14-9-3-1-2-8-13;12-9-5-2-6-10-13-11-7-3-1-4-8-11;9-6-2-1-3-7-10-8-4-5-8;8*1-3(2)6(4)5/h6-9,14-15,20H,3-5,10-13,19H2,1-2H3;6-8,11,14-15,20H,3-5,9-10,12-13,19H2,1-2H3;9-10,18H,2-8,11-12,17H2,1H3;8-10,21-22H,3-7H2,1-2H3;4-7,18H,1-3,8-10,17H2;5-8,14H,2-4,9-10,13H2,1H3;4-7,14H,1-3,8-9,13H2;11,13H,1-10,12H2;8,10H,1-7,9H2;8*3H,1-2H3,(H,4,5)/p-8/t2*14-,15+
• InChIKey: HJUMVHQBNBZBFT-OQDDMUOVSA-F
• XLogP: 24.89
• TPSA: 751.95 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 40
• Rotatable Bonds: 69
• Heavy Atoms: 207
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3122.38
LogP ≤ 5	24.89
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [3-(5-aminopentylamino)phenyl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone;[4-(5-aminopentylamino)phenyl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone;N'-cyclohexylpentane-1,5-diamine;N'-cyclopropylpentane-1,5-diamine;N-[5-[3,5-difluoro-4-(trifluoromethyl)anilino]pentyl]propane-2-sulfonamide;N'-(4-fluorophenyl)pentane-1,5-diamine;N'-(4-methoxyphenyl)pentane-1,5-diamine;N'-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)pentane-1,5-diamine;octakis(propane-2-sulfinate);N'-[[4-(trifluoromethyl)phenyl]methyl]pentane-1,5-diamine?

The IUPAC name of [3-(5-aminopentylamino)phenyl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone;[4-(5-aminopentylamino)phenyl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone;N'-cyclohexylpentane-1,5-diamine;N'-cyclopropylpentane-1,5-diamine;N-[5-[3,5-difluoro-4-(trifluoromethyl)anilino]pentyl]propane-2-sulfonamide;N'-(4-fluorophenyl)pentane-1,5-diamine;N'-(4-methoxyphenyl)pentane-1,5-diamine;N'-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)pentane-1,5-diamine;octakis(propane-2-sulfinate);N'-[[4-(trifluoromethyl)phenyl]methyl]pentane-1,5-diamine (CID 158381530) is [3-(5-aminopentylamino)phenyl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone;[4-(5-aminopentylamino)phenyl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone;N'-cyclohexylpentane-1,5-diamine;N'-cyclopropylpentane-1,5-diamine;N-[5-[3,5-difluoro-4-(trifluoromethyl)anilino]pentyl]propane-2-sulfonamide;N'-(4-fluorophenyl)pentane-1,5-diamine;N'-(4-methoxyphenyl)pentane-1,5-diamine;N'-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)pentane-1,5-diamine;octakis(propane-2-sulfinate);N'-[[4-(trifluoromethyl)phenyl]methyl]pentane-1,5-diamine.

What is the SMILES notation for [3-(5-aminopentylamino)phenyl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone;[4-(5-aminopentylamino)phenyl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone;N'-cyclohexylpentane-1,5-diamine;N'-cyclopropylpentane-1,5-diamine;N-[5-[3,5-difluoro-4-(trifluoromethyl)anilino]pentyl]propane-2-sulfonamide;N'-(4-fluorophenyl)pentane-1,5-diamine;N'-(4-methoxyphenyl)pentane-1,5-diamine;N'-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)pentane-1,5-diamine;octakis(propane-2-sulfinate);N'-[[4-(trifluoromethyl)phenyl]methyl]pentane-1,5-diamine?

The canonical SMILES for [3-(5-aminopentylamino)phenyl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone;[4-(5-aminopentylamino)phenyl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone;N'-cyclohexylpentane-1,5-diamine;N'-cyclopropylpentane-1,5-diamine;N-[5-[3,5-difluoro-4-(trifluoromethyl)anilino]pentyl]propane-2-sulfonamide;N'-(4-fluorophenyl)pentane-1,5-diamine;N'-(4-methoxyphenyl)pentane-1,5-diamine;N'-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)pentane-1,5-diamine;octakis(propane-2-sulfinate);N'-[[4-(trifluoromethyl)phenyl]methyl]pentane-1,5-diamine is CC(C)S(=O)(=O)NCCCCCNc1cc(F)c(C(F)(F)F)c(F)c1.CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].COc1ccc(NCCCCCN)cc1.C[C@@H]1CN(C(=O)c2ccc(NCCCCCN)cc2)C[C@H](C)O1.C[C@@H]1CN(C(=O)c2cccc(NCCCCCN)c2)C[C@H](C)O1.Cc1ccc(NCCCCCN)c2c1CCCC2.NCCCCCNC1CC1.NCCCCCNC1CCCCC1.NCCCCCNCc1ccc(C(F)(F)F)cc1.NCCCCCNc1ccc(F)cc1.

What is the InChIKey of [3-(5-aminopentylamino)phenyl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone;[4-(5-aminopentylamino)phenyl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone;N'-cyclohexylpentane-1,5-diamine;N'-cyclopropylpentane-1,5-diamine;N-[5-[3,5-difluoro-4-(trifluoromethyl)anilino]pentyl]propane-2-sulfonamide;N'-(4-fluorophenyl)pentane-1,5-diamine;N'-(4-methoxyphenyl)pentane-1,5-diamine;N'-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)pentane-1,5-diamine;octakis(propane-2-sulfinate);N'-[[4-(trifluoromethyl)phenyl]methyl]pentane-1,5-diamine?

The InChIKey is HJUMVHQBNBZBFT-OQDDMUOVSA-F. The full InChI is InChI=1S/2C18H29N3O2.C16H26N2.C15H21F5N2O2S.C13H19F3N2.C12H20N2O.C11H17FN2.C11H24N2.C8H18N2.8C3H8O2S/c1-14-12-21(13-15(2)23-14)18(22)16-6-8-17(9-7-16)20-11-5-3-4-10-19;1-14-12-21(13-15(2)23-14)18(22)16-7-6-8-17(11-16)20-10-5-3-4-9-19;1-13-9-10-16(18-12-6-2-5-11-17)15-8-4-3-7-14(13)15;1-10(2)25(23,24)22-7-5-3-4-6-21-11-8-12(16)14(13(17)9-11)15(18,19)20;14-13(15,16)12-6-4-11(5-7-12)10-18-9-3-1-2-8-17;1-15-12-7-5-11(6-8-12)14-10-4-2-3-9-13;12-10-4-6-11(7-5-10)14-9-3-1-2-8-13;12-9-5-2-6-10-13-11-7-3-1-4-8-11;9-6-2-1-3-7-10-8-4-5-8;8*1-3(2)6(4)5/h6-9,14-15,20H,3-5,10-13,19H2,1-2H3;6-8,11,14-15,20H,3-5,9-10,12-13,19H2,1-2H3;9-10,18H,2-8,11-12,17H2,1H3;8-10,21-22H,3-7H2,1-2H3;4-7,18H,1-3,8-10,17H2;5-8,14H,2-4,9-10,13H2,1H3;4-7,14H,1-3,8-9,13H2;11,13H,1-10,12H2;8,10H,1-7,9H2;8*3H,1-2H3,(H,4,5)/p-8/t2*14-,15+;;;;;;;;;;;;;;;.

What are the key properties of [3-(5-aminopentylamino)phenyl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone;[4-(5-aminopentylamino)phenyl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone;N'-cyclohexylpentane-1,5-diamine;N'-cyclopropylpentane-1,5-diamine;N-[5-[3,5-difluoro-4-(trifluoromethyl)anilino]pentyl]propane-2-sulfonamide;N'-(4-fluorophenyl)pentane-1,5-diamine;N'-(4-methoxyphenyl)pentane-1,5-diamine;N'-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)pentane-1,5-diamine;octakis(propane-2-sulfinate);N'-[[4-(trifluoromethyl)phenyl]methyl]pentane-1,5-diamine?

[3-(5-aminopentylamino)phenyl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone;[4-(5-aminopentylamino)phenyl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone;N'-cyclohexylpentane-1,5-diamine;N'-cyclopropylpentane-1,5-diamine;N-[5-[3,5-difluoro-4-(trifluoromethyl)anilino]pentyl]propane-2-sulfonamide;N'-(4-fluorophenyl)pentane-1,5-diamine;N'-(4-methoxyphenyl)pentane-1,5-diamine;N'-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)pentane-1,5-diamine;octakis(propane-2-sulfinate);N'-[[4-(trifluoromethyl)phenyl]methyl]pentane-1,5-diamine has a molecular weight of 3122.38 g/mol, XLogP of 24.89, 69 rotatable bonds, 18 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(5-aminopentylamino)phenyl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone;[4-(5-aminopentylamino)phenyl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone;N'-cyclohexylpentane-1,5-diamine;N'-cyclopropylpentane-1,5-diamine;N-[5-[3,5-difluoro-4-(trifluoromethyl)anilino]pentyl]propane-2-sulfonamide;N'-(4-fluorophenyl)pentane-1,5-diamine;N'-(4-methoxyphenyl)pentane-1,5-diamine;N'-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)pentane-1,5-diamine;octakis(propane-2-sulfinate);N'-[[4-(trifluoromethyl)phenyl]methyl]pentane-1,5-diamine is sourced from PubChem (CID 158381530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).