2-(2-aminoethylamino)ethyl-[2-[2-(dimethylamino)ethylamino]ethyl]-dimethylazanium

C12H32N5+ — CID 18322616

IUPAC2-(2-aminoethylamino)ethyl-[2-[2-(dimethylamino)ethylamino]ethyl]-dimethylazanium
SMILESCN(C)CCNCC[N+](C)(C)CCNCCN
InChIInChI=1S/C12H32N5/c1-16(2)10-7-15-9-12-17(3,4)11-8-14-6-5-13/h14-15H,5-13H2,1-4H3/q+1
InChIKeyADJLDZRMWCYRQX-UHFFFAOYSA-N
MW246.42 g/mol
LogP-1.24
Rot. Bonds11

About 2-(2-aminoethylamino)ethyl-[2-[2-(dimethylamino)ethylamino]ethyl]-dimethylazanium

2-(2-aminoethylamino)ethyl-[2-[2-(dimethylamino)ethylamino]ethyl]-dimethylazanium (PubChem CID 18322616) has the molecular formula C12H32N5+ and a molecular weight of 246.42 g/mol. Its IUPAC name is 2-(2-aminoethylamino)ethyl-[2-[2-(dimethylamino)ethylamino]ethyl]-dimethylazanium.

Molecular Properties

Compound Name2-(2-aminoethylamino)ethyl-[2-[2-(dimethylamino)ethylamino]ethyl]-dimethylazanium
PubChem CID18322616
Molecular FormulaC12H32N5+
Molecular Weight246.42 g/mol
Exact Mass246.27
IUPAC Name2-(2-aminoethylamino)ethyl-[2-[2-(dimethylamino)ethylamino]ethyl]-dimethylazanium
SMILESCN(C)CCNCC[N+](C)(C)CCNCCN
InChIInChI=1S/C12H32N5/c1-16(2)10-7-15-9-12-17(3,4)11-8-14-6-5-13/h14-15H,5-13H2,1-4H3/q+1
InChIKeyADJLDZRMWCYRQX-UHFFFAOYSA-N
XLogP-1.24
TPSA53.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.42
LogP ≤ 5-1.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethylamino)ethyl-[2-[2-(dimethylamino)ethylamino]ethyl]-dimethylazanium?
The IUPAC name of 2-(2-aminoethylamino)ethyl-[2-[2-(dimethylamino)ethylamino]ethyl]-dimethylazanium (CID 18322616) is 2-(2-aminoethylamino)ethyl-[2-[2-(dimethylamino)ethylamino]ethyl]-dimethylazanium.
What is the SMILES notation for 2-(2-aminoethylamino)ethyl-[2-[2-(dimethylamino)ethylamino]ethyl]-dimethylazanium?
The canonical SMILES for 2-(2-aminoethylamino)ethyl-[2-[2-(dimethylamino)ethylamino]ethyl]-dimethylazanium is CN(C)CCNCC[N+](C)(C)CCNCCN.
What is the InChIKey of 2-(2-aminoethylamino)ethyl-[2-[2-(dimethylamino)ethylamino]ethyl]-dimethylazanium?
The InChIKey is ADJLDZRMWCYRQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H32N5/c1-16(2)10-7-15-9-12-17(3,4)11-8-14-6-5-13/h14-15H,5-13H2,1-4H3/q+1.
What are the key properties of 2-(2-aminoethylamino)ethyl-[2-[2-(dimethylamino)ethylamino]ethyl]-dimethylazanium?
2-(2-aminoethylamino)ethyl-[2-[2-(dimethylamino)ethylamino]ethyl]-dimethylazanium has a molecular weight of 246.42 g/mol, XLogP of -1.24, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethylamino)ethyl-[2-[2-(dimethylamino)ethylamino]ethyl]-dimethylazanium is sourced from PubChem (CID 18322616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).