2-aminoethyl-[2-(2-aminopropoxy)propyl]azanium

C8H22N3O+ — CID 59929731

IUPAC2-aminoethyl-[2-(2-aminopropoxy)propyl]azanium
SMILESCC(N)COC(C)C[NH2+]CCN
InChIInChI=1S/C8H21N3O/c1-7(10)6-12-8(2)5-11-4-3-9/h7-8,11H,3-6,9-10H2,1-2H3/p+1
InChIKeyLSGOQCLOGXCAFG-UHFFFAOYSA-O
MW176.28 g/mol
LogP-1.74
Rot. Bonds7

About 2-aminoethyl-[2-(2-aminopropoxy)propyl]azanium

2-aminoethyl-[2-(2-aminopropoxy)propyl]azanium (PubChem CID 59929731) has the molecular formula C8H22N3O+ and a molecular weight of 176.28 g/mol. Its IUPAC name is 2-aminoethyl-[2-(2-aminopropoxy)propyl]azanium.

Molecular Properties

Compound Name2-aminoethyl-[2-(2-aminopropoxy)propyl]azanium
PubChem CID59929731
Molecular FormulaC8H22N3O+
Molecular Weight176.28 g/mol
Exact Mass176.18
IUPAC Name2-aminoethyl-[2-(2-aminopropoxy)propyl]azanium
SMILESCC(N)COC(C)C[NH2+]CCN
InChIInChI=1S/C8H21N3O/c1-7(10)6-12-8(2)5-11-4-3-9/h7-8,11H,3-6,9-10H2,1-2H3/p+1
InChIKeyLSGOQCLOGXCAFG-UHFFFAOYSA-O
XLogP-1.74
TPSA77.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.28
LogP ≤ 5-1.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-aminoethyl-[2-(2-aminopropoxy)propyl]azanium?
The IUPAC name of 2-aminoethyl-[2-(2-aminopropoxy)propyl]azanium (CID 59929731) is 2-aminoethyl-[2-(2-aminopropoxy)propyl]azanium.
What is the SMILES notation for 2-aminoethyl-[2-(2-aminopropoxy)propyl]azanium?
The canonical SMILES for 2-aminoethyl-[2-(2-aminopropoxy)propyl]azanium is CC(N)COC(C)C[NH2+]CCN.
What is the InChIKey of 2-aminoethyl-[2-(2-aminopropoxy)propyl]azanium?
The InChIKey is LSGOQCLOGXCAFG-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H21N3O/c1-7(10)6-12-8(2)5-11-4-3-9/h7-8,11H,3-6,9-10H2,1-2H3/p+1.
What are the key properties of 2-aminoethyl-[2-(2-aminopropoxy)propyl]azanium?
2-aminoethyl-[2-(2-aminopropoxy)propyl]azanium has a molecular weight of 176.28 g/mol, XLogP of -1.74, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethyl-[2-(2-aminopropoxy)propyl]azanium is sourced from PubChem (CID 59929731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).