N'-[3-(dimethylamino)propyl]-N,N-dimethyl-N'-[2-[(2Z)-2-methyl-6-methylideneocta-2,7-dienoxy]propyl]propane-1,3-diamine;N,N-dimethyl-2-[2-[(2Z)-2-methyl-6-methylideneocta-2,7-dienoxy]ethoxy]ethanamine;N,N,N'-trimethyl-N'-[2-[(2Z)-2-methyl-6-methylideneocta-2,7-dienoxy]ethyl]ethane-1,2-diamine

C56H106N6O4 — CID 162070547

About N'-[3-(dimethylamino)propyl]-N,N-dimethyl-N'-[2-[(2Z)-2-methyl-6-methylideneocta-2,7-dienoxy]propyl]propane-1,3-diamine;N,N-dimethyl-2-[2-[(2Z)-2-methyl-6-methylideneocta-2,7-dienoxy]ethoxy]ethanamine;N,N,N'-trimethyl-N'-[2-[(2Z)-2-methyl-6-methylideneocta-2,7-dienoxy]ethyl]ethane-1,2-diamine

N'-[3-(dimethylamino)propyl]-N,N-dimethyl-N'-[2-[(2Z)-2-methyl-6-methylideneocta-2,7-dienoxy]propyl]propane-1,3-diamine;N,N-dimethyl-2-[2-[(2Z)-2-methyl-6-methylideneocta-2,7-dienoxy]ethoxy]ethanamine;N,N,N'-trimethyl-N'-[2-[(2Z)-2-methyl-6-methylideneocta-2,7-dienoxy]ethyl]ethane-1,2-diamine (PubChem CID 162070547) has the molecular formula C56H106N6O4 and a molecular weight of 927.50 g/mol. Its IUPAC name is N'-[3-(dimethylamino)propyl]-N,N-dimethyl-N'-[2-[(2Z)-2-methyl-6-methylideneocta-2,7-dienoxy]propyl]propane-1,3-diamine;N,N-dimethyl-2-[2-[(2Z)-2-methyl-6-methylideneocta-2,7-dienoxy]ethoxy]ethanamine;N,N,N'-trimethyl-N'-[2-[(2Z)-2-methyl-6-methylideneocta-2,7-dienoxy]ethyl]ethane-1,2-diamine.

Molecular Properties

• Compound Name: N'-[3-(dimethylamino)propyl]-N,N-dimethyl-N'-[2-[(2Z)-2-methyl-6-methylideneocta-2,7-dienoxy]propyl]propane-1,3-diamine;N,N-dimethyl-2-[2-[(2Z)-2-methyl-6-methylideneocta-2,7-dienoxy]ethoxy]ethanamine;N,N,N'-trimethyl-N'-[2-[(2Z)-2-methyl-6-methylideneocta-2,7-dienoxy]ethyl]ethane-1,2-diamine
• PubChem CID: 162070547
• Molecular Formula: C56H106N6O4
• Molecular Weight: 927.50 g/mol
• Exact Mass: 926.83
• IUPAC Name: N'-[3-(dimethylamino)propyl]-N,N-dimethyl-N'-[2-[(2Z)-2-methyl-6-methylideneocta-2,7-dienoxy]propyl]propane-1,3-diamine;N,N-dimethyl-2-[2-[(2Z)-2-methyl-6-methylideneocta-2,7-dienoxy]ethoxy]ethanamine;N,N,N'-trimethyl-N'-[2-[(2Z)-2-methyl-6-methylideneocta-2,7-dienoxy]ethyl]ethane-1,2-diamine
• SMILES: C=CC(=C)CC/C=C(/C)COC(C)CN(CCCN(C)C)CCCN(C)C.C=CC(=C)CC/C=C(/C)COCCN(C)CCN(C)C.C=CC(=C)CC/C=C(/C)COCCOCCN(C)C
• InChI: InChI=1S/C23H45N3O.C17H32N2O.C16H29NO2/c1-9-21(2)13-10-14-22(3)20-27-23(4)19-26(17-11-15-24(5)6)18-12-16-25(7)8;1-7-16(2)9-8-10-17(3)15-20-14-13-19(6)12-11-18(4)5;1-6-15(2)8-7-9-16(3)14-19-13-12-18-11-10-17(4)5/h9,14,23H,1-2,10-13,15-20H2,3-8H3;7,10H,1-2,8-9,11-15H2,3-6H3;6,9H,1-2,7-8,10-14H2,3-5H3/b22-14-;17-10-;16-9-
• InChIKey: ZBACPYPTCIJHHO-IHAXQSOSSA-N
• XLogP: 10.08
• TPSA: 56.36 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 41
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	927.50
LogP ≤ 5	10.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N'-[3-(dimethylamino)propyl]-N,N-dimethyl-N'-[2-[(2Z)-2-methyl-6-methylideneocta-2,7-dienoxy]propyl]propane-1,3-diamine;N,N-dimethyl-2-[2-[(2Z)-2-methyl-6-methylideneocta-2,7-dienoxy]ethoxy]ethanamine;N,N,N'-trimethyl-N'-[2-[(2Z)-2-methyl-6-methylideneocta-2,7-dienoxy]ethyl]ethane-1,2-diamine?

The IUPAC name of N'-[3-(dimethylamino)propyl]-N,N-dimethyl-N'-[2-[(2Z)-2-methyl-6-methylideneocta-2,7-dienoxy]propyl]propane-1,3-diamine;N,N-dimethyl-2-[2-[(2Z)-2-methyl-6-methylideneocta-2,7-dienoxy]ethoxy]ethanamine;N,N,N'-trimethyl-N'-[2-[(2Z)-2-methyl-6-methylideneocta-2,7-dienoxy]ethyl]ethane-1,2-diamine (CID 162070547) is N'-[3-(dimethylamino)propyl]-N,N-dimethyl-N'-[2-[(2Z)-2-methyl-6-methylideneocta-2,7-dienoxy]propyl]propane-1,3-diamine;N,N-dimethyl-2-[2-[(2Z)-2-methyl-6-methylideneocta-2,7-dienoxy]ethoxy]ethanamine;N,N,N'-trimethyl-N'-[2-[(2Z)-2-methyl-6-methylideneocta-2,7-dienoxy]ethyl]ethane-1,2-diamine.

What is the SMILES notation for N'-[3-(dimethylamino)propyl]-N,N-dimethyl-N'-[2-[(2Z)-2-methyl-6-methylideneocta-2,7-dienoxy]propyl]propane-1,3-diamine;N,N-dimethyl-2-[2-[(2Z)-2-methyl-6-methylideneocta-2,7-dienoxy]ethoxy]ethanamine;N,N,N'-trimethyl-N'-[2-[(2Z)-2-methyl-6-methylideneocta-2,7-dienoxy]ethyl]ethane-1,2-diamine?

The canonical SMILES for N'-[3-(dimethylamino)propyl]-N,N-dimethyl-N'-[2-[(2Z)-2-methyl-6-methylideneocta-2,7-dienoxy]propyl]propane-1,3-diamine;N,N-dimethyl-2-[2-[(2Z)-2-methyl-6-methylideneocta-2,7-dienoxy]ethoxy]ethanamine;N,N,N'-trimethyl-N'-[2-[(2Z)-2-methyl-6-methylideneocta-2,7-dienoxy]ethyl]ethane-1,2-diamine is C=CC(=C)CC/C=C(/C)COC(C)CN(CCCN(C)C)CCCN(C)C.C=CC(=C)CC/C=C(/C)COCCN(C)CCN(C)C.C=CC(=C)CC/C=C(/C)COCCOCCN(C)C.

What is the InChIKey of N'-[3-(dimethylamino)propyl]-N,N-dimethyl-N'-[2-[(2Z)-2-methyl-6-methylideneocta-2,7-dienoxy]propyl]propane-1,3-diamine;N,N-dimethyl-2-[2-[(2Z)-2-methyl-6-methylideneocta-2,7-dienoxy]ethoxy]ethanamine;N,N,N'-trimethyl-N'-[2-[(2Z)-2-methyl-6-methylideneocta-2,7-dienoxy]ethyl]ethane-1,2-diamine?

The InChIKey is ZBACPYPTCIJHHO-IHAXQSOSSA-N. The full InChI is InChI=1S/C23H45N3O.C17H32N2O.C16H29NO2/c1-9-21(2)13-10-14-22(3)20-27-23(4)19-26(17-11-15-24(5)6)18-12-16-25(7)8;1-7-16(2)9-8-10-17(3)15-20-14-13-19(6)12-11-18(4)5;1-6-15(2)8-7-9-16(3)14-19-13-12-18-11-10-17(4)5/h9,14,23H,1-2,10-13,15-20H2,3-8H3;7,10H,1-2,8-9,11-15H2,3-6H3;6,9H,1-2,7-8,10-14H2,3-5H3/b22-14-;17-10-;16-9-.

What are the key properties of N'-[3-(dimethylamino)propyl]-N,N-dimethyl-N'-[2-[(2Z)-2-methyl-6-methylideneocta-2,7-dienoxy]propyl]propane-1,3-diamine;N,N-dimethyl-2-[2-[(2Z)-2-methyl-6-methylideneocta-2,7-dienoxy]ethoxy]ethanamine;N,N,N'-trimethyl-N'-[2-[(2Z)-2-methyl-6-methylideneocta-2,7-dienoxy]ethyl]ethane-1,2-diamine?

N'-[3-(dimethylamino)propyl]-N,N-dimethyl-N'-[2-[(2Z)-2-methyl-6-methylideneocta-2,7-dienoxy]propyl]propane-1,3-diamine;N,N-dimethyl-2-[2-[(2Z)-2-methyl-6-methylideneocta-2,7-dienoxy]ethoxy]ethanamine;N,N,N'-trimethyl-N'-[2-[(2Z)-2-methyl-6-methylideneocta-2,7-dienoxy]ethyl]ethane-1,2-diamine has a molecular weight of 927.50 g/mol, XLogP of 10.08, 41 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N'-[3-(dimethylamino)propyl]-N,N-dimethyl-N'-[2-[(2Z)-2-methyl-6-methylideneocta-2,7-dienoxy]propyl]propane-1,3-diamine;N,N-dimethyl-2-[2-[(2Z)-2-methyl-6-methylideneocta-2,7-dienoxy]ethoxy]ethanamine;N,N,N'-trimethyl-N'-[2-[(2Z)-2-methyl-6-methylideneocta-2,7-dienoxy]ethyl]ethane-1,2-diamine is sourced from PubChem (CID 162070547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).