N'-[3-(dimethylamino)propyl]-N,N,N'-trimethylpropane-1,3-diamine;bis(1,4-dimethylpiperazine);2-(1,4-dimethylpiperazin-1-ium-1-yl)ethanol;ethane;methane;1-methylpiperidine;propane;bis(1,1,4-trimethylpiperazin-1-ium)

C68H171N14O+3 — CID 159594133

About N'-[3-(dimethylamino)propyl]-N,N,N'-trimethylpropane-1,3-diamine;bis(1,4-dimethylpiperazine);2-(1,4-dimethylpiperazin-1-ium-1-yl)ethanol;ethane;methane;1-methylpiperidine;propane;bis(1,1,4-trimethylpiperazin-1-ium)

N'-[3-(dimethylamino)propyl]-N,N,N'-trimethylpropane-1,3-diamine;bis(1,4-dimethylpiperazine);2-(1,4-dimethylpiperazin-1-ium-1-yl)ethanol;ethane;methane;1-methylpiperidine;propane;bis(1,1,4-trimethylpiperazin-1-ium) (PubChem CID 159594133) has the molecular formula C68H171N14O+3 and a molecular weight of 1201.21 g/mol. Its IUPAC name is N'-[3-(dimethylamino)propyl]-N,N,N'-trimethylpropane-1,3-diamine;bis(1,4-dimethylpiperazine);2-(1,4-dimethylpiperazin-1-ium-1-yl)ethanol;ethane;methane;1-methylpiperidine;propane;bis(1,1,4-trimethylpiperazin-1-ium).

Molecular Properties

• Compound Name: N'-[3-(dimethylamino)propyl]-N,N,N'-trimethylpropane-1,3-diamine;bis(1,4-dimethylpiperazine);2-(1,4-dimethylpiperazin-1-ium-1-yl)ethanol;ethane;methane;1-methylpiperidine;propane;bis(1,1,4-trimethylpiperazin-1-ium)
• PubChem CID: 159594133
• Molecular Formula: C68H171N14O+3
• Molecular Weight: 1201.21 g/mol
• Exact Mass: 1200.37
• IUPAC Name: N'-[3-(dimethylamino)propyl]-N,N,N'-trimethylpropane-1,3-diamine;bis(1,4-dimethylpiperazine);2-(1,4-dimethylpiperazin-1-ium-1-yl)ethanol;ethane;methane;1-methylpiperidine;propane;bis(1,1,4-trimethylpiperazin-1-ium)
• SMILES: C.CC.CC.CC.CC.CC.CCC.CCC.CN(C)CCCN(C)CCCN(C)C.CN1CCCCC1.CN1CCN(C)CC1.CN1CCN(C)CC1.CN1CC[N+](C)(C)CC1.CN1CC[N+](C)(C)CC1.CN1CC[N+](C)(CCO)CC1
• InChI: InChI=1S/C11H27N3.C8H19N2O.2C7H17N2.2C6H14N2.C6H13N.2C3H8.5C2H6.CH4/c1-12(2)8-6-10-14(5)11-7-9-13(3)4;1-9-3-5-10(2,6-4-9)7-8-11;2*1-8-4-6-9(2,3)7-5-8;2*1-7-3-5-8(2)6-4-7;1-7-5-3-2-4-6-7;2*1-3-2;5*1-2;/h6-11H2,1-5H3;11H,3-8H2,1-2H3;2*4-7H2,1-3H3;2*3-6H2,1-2H3;2-6H2,1H3;2*3H2,1-2H3;5*1-2H3;1H4/q;3*+1
• InChIKey: XODOPGIIIVKFPY-UHFFFAOYSA-N
• XLogP: 9.64
• TPSA: 55.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1201.21
LogP ≤ 5	9.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N'-[3-(dimethylamino)propyl]-N,N,N'-trimethylpropane-1,3-diamine;bis(1,4-dimethylpiperazine);2-(1,4-dimethylpiperazin-1-ium-1-yl)ethanol;ethane;methane;1-methylpiperidine;propane;bis(1,1,4-trimethylpiperazin-1-ium)?

The IUPAC name of N'-[3-(dimethylamino)propyl]-N,N,N'-trimethylpropane-1,3-diamine;bis(1,4-dimethylpiperazine);2-(1,4-dimethylpiperazin-1-ium-1-yl)ethanol;ethane;methane;1-methylpiperidine;propane;bis(1,1,4-trimethylpiperazin-1-ium) (CID 159594133) is N'-[3-(dimethylamino)propyl]-N,N,N'-trimethylpropane-1,3-diamine;bis(1,4-dimethylpiperazine);2-(1,4-dimethylpiperazin-1-ium-1-yl)ethanol;ethane;methane;1-methylpiperidine;propane;bis(1,1,4-trimethylpiperazin-1-ium).

What is the SMILES notation for N'-[3-(dimethylamino)propyl]-N,N,N'-trimethylpropane-1,3-diamine;bis(1,4-dimethylpiperazine);2-(1,4-dimethylpiperazin-1-ium-1-yl)ethanol;ethane;methane;1-methylpiperidine;propane;bis(1,1,4-trimethylpiperazin-1-ium)?

The canonical SMILES for N'-[3-(dimethylamino)propyl]-N,N,N'-trimethylpropane-1,3-diamine;bis(1,4-dimethylpiperazine);2-(1,4-dimethylpiperazin-1-ium-1-yl)ethanol;ethane;methane;1-methylpiperidine;propane;bis(1,1,4-trimethylpiperazin-1-ium) is C.CC.CC.CC.CC.CC.CCC.CCC.CN(C)CCCN(C)CCCN(C)C.CN1CCCCC1.CN1CCN(C)CC1.CN1CCN(C)CC1.CN1CC[N+](C)(C)CC1.CN1CC[N+](C)(C)CC1.CN1CC[N+](C)(CCO)CC1.

What is the InChIKey of N'-[3-(dimethylamino)propyl]-N,N,N'-trimethylpropane-1,3-diamine;bis(1,4-dimethylpiperazine);2-(1,4-dimethylpiperazin-1-ium-1-yl)ethanol;ethane;methane;1-methylpiperidine;propane;bis(1,1,4-trimethylpiperazin-1-ium)?

The InChIKey is XODOPGIIIVKFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H27N3.C8H19N2O.2C7H17N2.2C6H14N2.C6H13N.2C3H8.5C2H6.CH4/c1-12(2)8-6-10-14(5)11-7-9-13(3)4;1-9-3-5-10(2,6-4-9)7-8-11;2*1-8-4-6-9(2,3)7-5-8;2*1-7-3-5-8(2)6-4-7;1-7-5-3-2-4-6-7;2*1-3-2;5*1-2;/h6-11H2,1-5H3;11H,3-8H2,1-2H3;2*4-7H2,1-3H3;2*3-6H2,1-2H3;2-6H2,1H3;2*3H2,1-2H3;5*1-2H3;1H4/q;3*+1;;;;;;;;;;;.

What are the key properties of N'-[3-(dimethylamino)propyl]-N,N,N'-trimethylpropane-1,3-diamine;bis(1,4-dimethylpiperazine);2-(1,4-dimethylpiperazin-1-ium-1-yl)ethanol;ethane;methane;1-methylpiperidine;propane;bis(1,1,4-trimethylpiperazin-1-ium)?

N'-[3-(dimethylamino)propyl]-N,N,N'-trimethylpropane-1,3-diamine;bis(1,4-dimethylpiperazine);2-(1,4-dimethylpiperazin-1-ium-1-yl)ethanol;ethane;methane;1-methylpiperidine;propane;bis(1,1,4-trimethylpiperazin-1-ium) has a molecular weight of 1201.21 g/mol, XLogP of 9.64, 10 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N'-[3-(dimethylamino)propyl]-N,N,N'-trimethylpropane-1,3-diamine;bis(1,4-dimethylpiperazine);2-(1,4-dimethylpiperazin-1-ium-1-yl)ethanol;ethane;methane;1-methylpiperidine;propane;bis(1,1,4-trimethylpiperazin-1-ium) is sourced from PubChem (CID 159594133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).