tris(2-aminoethylamino)-ethylazanium chloride

C8H26ClN7 — CID 87673627

IUPACtris(2-aminoethylamino)-ethylazanium chloride
SMILESCC[N+](NCCN)(NCCN)NCCN.[Cl-]
InChIInChI=1S/C8H26N7.ClH/c1-2-15(12-6-3-9,13-7-4-10)14-8-5-11;/h12-14H,2-11H2,1H3;1H/q+1;/p-1
InChIKeyNXFTZZCYIJTFHI-UHFFFAOYSA-M
MW255.80 g/mol
LogP-5.78
Rot. Bonds10

About tris(2-aminoethylamino)-ethylazanium chloride

tris(2-aminoethylamino)-ethylazanium chloride (PubChem CID 87673627) has the molecular formula C8H26ClN7 and a molecular weight of 255.80 g/mol. Its IUPAC name is tris(2-aminoethylamino)-ethylazanium chloride.

Molecular Properties

Compound Nametris(2-aminoethylamino)-ethylazanium chloride
PubChem CID87673627
Molecular FormulaC8H26ClN7
Molecular Weight255.80 g/mol
Exact Mass255.19
IUPAC Nametris(2-aminoethylamino)-ethylazanium chloride
SMILESCC[N+](NCCN)(NCCN)NCCN.[Cl-]
InChIInChI=1S/C8H26N7.ClH/c1-2-15(12-6-3-9,13-7-4-10)14-8-5-11;/h12-14H,2-11H2,1H3;1H/q+1;/p-1
InChIKeyNXFTZZCYIJTFHI-UHFFFAOYSA-M
XLogP-5.78
TPSA114.15 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500255.80
LogP ≤ 5-5.78
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-hydrazinylethanamine;propane
CID 87476365
2-aminoethyl(triethyl)azanium chloride
CID 86212425
N'-ethylethane-1,2-diamine;hydrochloride
CID 19427140
N'-oxidoethane-1,2-diamine
CID 58480278
ethanamine;yttrium
CID 158796558
azane;N'-propylethane-1,2-diamine
CID 87476258
N-(2-aminoethyl)hydroxylamine;butane
CID 22159511
2-deuteriopropan-1-amine
CID 164969480
N'-(2-ethylsulfanylethyl)ethane-1,2-diamine;dihydrochloride
CID 45261849
N'-(2-butylsulfanylethyl)ethane-1,2-diamine
CID 11275341
N-(2-aminoethyl)butanamide;ethane
CID 143117924
N'-(2-propylsulfanylethyl)ethane-1,2-diamine;dihydrochloride
CID 45261792

Frequently Asked Questions

What is the IUPAC name of tris(2-aminoethylamino)-ethylazanium chloride?
The IUPAC name of tris(2-aminoethylamino)-ethylazanium chloride (CID 87673627) is tris(2-aminoethylamino)-ethylazanium chloride.
What is the SMILES notation for tris(2-aminoethylamino)-ethylazanium chloride?
The canonical SMILES for tris(2-aminoethylamino)-ethylazanium chloride is CC[N+](NCCN)(NCCN)NCCN.[Cl-].
What is the InChIKey of tris(2-aminoethylamino)-ethylazanium chloride?
The InChIKey is NXFTZZCYIJTFHI-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H26N7.ClH/c1-2-15(12-6-3-9,13-7-4-10)14-8-5-11;/h12-14H,2-11H2,1H3;1H/q+1;/p-1.
What are the key properties of tris(2-aminoethylamino)-ethylazanium chloride?
tris(2-aminoethylamino)-ethylazanium chloride has a molecular weight of 255.80 g/mol, XLogP of -5.78, 10 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-aminoethylamino)-ethylazanium chloride is sourced from PubChem (CID 87673627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).