tris(2-aminoethyl)-methylazanium

C7H21N4+ — CID 11446917

IUPACtris(2-aminoethyl)-methylazanium
SMILESC[N+](CCN)(CCN)CCN
InChIInChI=1S/C7H21N4/c1-11(5-2-8,6-3-9)7-4-10/h2-10H2,1H3/q+1
InChIKeyIKAYUGXBQDAWFM-UHFFFAOYSA-N
MW161.27 g/mol
LogP-1.69
Rot. Bonds6

About tris(2-aminoethyl)-methylazanium

tris(2-aminoethyl)-methylazanium (PubChem CID 11446917) has the molecular formula C7H21N4+ and a molecular weight of 161.27 g/mol. Its IUPAC name is tris(2-aminoethyl)-methylazanium.

Molecular Properties

Compound Nametris(2-aminoethyl)-methylazanium
PubChem CID11446917
Molecular FormulaC7H21N4+
Molecular Weight161.27 g/mol
Exact Mass161.18
IUPAC Nametris(2-aminoethyl)-methylazanium
SMILESC[N+](CCN)(CCN)CCN
InChIInChI=1S/C7H21N4/c1-11(5-2-8,6-3-9)7-4-10/h2-10H2,1H3/q+1
InChIKeyIKAYUGXBQDAWFM-UHFFFAOYSA-N
XLogP-1.69
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.27
LogP ≤ 5-1.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tris(2-aminoethyl)-methylazanium?
The IUPAC name of tris(2-aminoethyl)-methylazanium (CID 11446917) is tris(2-aminoethyl)-methylazanium.
What is the SMILES notation for tris(2-aminoethyl)-methylazanium?
The canonical SMILES for tris(2-aminoethyl)-methylazanium is C[N+](CCN)(CCN)CCN.
What is the InChIKey of tris(2-aminoethyl)-methylazanium?
The InChIKey is IKAYUGXBQDAWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H21N4/c1-11(5-2-8,6-3-9)7-4-10/h2-10H2,1H3/q+1.
What are the key properties of tris(2-aminoethyl)-methylazanium?
tris(2-aminoethyl)-methylazanium has a molecular weight of 161.27 g/mol, XLogP of -1.69, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-aminoethyl)-methylazanium is sourced from PubChem (CID 11446917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).