N-[2-(dimethylamino)ethyl]-N',N'-dimethylethane-1,2-diamine;2-(2-hydroxypropoxy)propan-1-ol

C14H35N3O3 — CID 162147742

About N-[2-(dimethylamino)ethyl]-N',N'-dimethylethane-1,2-diamine;2-(2-hydroxypropoxy)propan-1-ol

N-[2-(dimethylamino)ethyl]-N',N'-dimethylethane-1,2-diamine;2-(2-hydroxypropoxy)propan-1-ol (PubChem CID 162147742) has the molecular formula C14H35N3O3 and a molecular weight of 293.45 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N',N'-dimethylethane-1,2-diamine;2-(2-hydroxypropoxy)propan-1-ol.

Molecular Properties

• Compound Name: N-[2-(dimethylamino)ethyl]-N',N'-dimethylethane-1,2-diamine;2-(2-hydroxypropoxy)propan-1-ol
• PubChem CID: 162147742
• Molecular Formula: C14H35N3O3
• Molecular Weight: 293.45 g/mol
• Exact Mass: 293.27
• IUPAC Name: N-[2-(dimethylamino)ethyl]-N',N'-dimethylethane-1,2-diamine;2-(2-hydroxypropoxy)propan-1-ol
• SMILES: CC(O)COC(C)CO.CN(C)CCNCCN(C)C
• InChI: InChI=1S/C8H21N3.C6H14O3/c1-10(2)7-5-9-6-8-11(3)4;1-5(8)4-9-6(2)3-7/h9H,5-8H2,1-4H3;5-8H,3-4H2,1-2H3
• InChIKey: ZKUDAACWCJGVFF-UHFFFAOYSA-N
• XLogP: -0.54
• TPSA: 68.20 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	293.45
LogP ≤ 5	-0.54
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N',N'-dimethylethane-1,2-diamine;2-(2-hydroxypropoxy)propan-1-ol?

The IUPAC name of N-[2-(dimethylamino)ethyl]-N',N'-dimethylethane-1,2-diamine;2-(2-hydroxypropoxy)propan-1-ol (CID 162147742) is N-[2-(dimethylamino)ethyl]-N',N'-dimethylethane-1,2-diamine;2-(2-hydroxypropoxy)propan-1-ol.

What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N',N'-dimethylethane-1,2-diamine;2-(2-hydroxypropoxy)propan-1-ol?

The canonical SMILES for N-[2-(dimethylamino)ethyl]-N',N'-dimethylethane-1,2-diamine;2-(2-hydroxypropoxy)propan-1-ol is CC(O)COC(C)CO.CN(C)CCNCCN(C)C.

What is the InChIKey of N-[2-(dimethylamino)ethyl]-N',N'-dimethylethane-1,2-diamine;2-(2-hydroxypropoxy)propan-1-ol?

The InChIKey is ZKUDAACWCJGVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21N3.C6H14O3/c1-10(2)7-5-9-6-8-11(3)4;1-5(8)4-9-6(2)3-7/h9H,5-8H2,1-4H3;5-8H,3-4H2,1-2H3.

What are the key properties of N-[2-(dimethylamino)ethyl]-N',N'-dimethylethane-1,2-diamine;2-(2-hydroxypropoxy)propan-1-ol?

N-[2-(dimethylamino)ethyl]-N',N'-dimethylethane-1,2-diamine;2-(2-hydroxypropoxy)propan-1-ol has a molecular weight of 293.45 g/mol, XLogP of -0.54, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(dimethylamino)ethyl]-N',N'-dimethylethane-1,2-diamine;2-(2-hydroxypropoxy)propan-1-ol is sourced from PubChem (CID 162147742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).