2-azaniumylethyl(2-hydroxypropyl)azanium

C5H16N2O+2 — CID 153316929

IUPAC2-azaniumylethyl(2-hydroxypropyl)azanium
SMILESCC(O)C[NH2+]CC[NH3+]
InChIInChI=1S/C5H14N2O/c1-5(8)4-7-3-2-6/h5,7-8H,2-4,6H2,1H3/p+2
InChIKeyCWKVFRNCODQPDB-UHFFFAOYSA-P
MW120.20 g/mol
LogP-2.83
Rot. Bonds4

About 2-azaniumylethyl(2-hydroxypropyl)azanium

2-azaniumylethyl(2-hydroxypropyl)azanium (PubChem CID 153316929) has the molecular formula C5H16N2O+2 and a molecular weight of 120.20 g/mol. Its IUPAC name is 2-azaniumylethyl(2-hydroxypropyl)azanium.

Molecular Properties

Compound Name2-azaniumylethyl(2-hydroxypropyl)azanium
PubChem CID153316929
Molecular FormulaC5H16N2O+2
Molecular Weight120.20 g/mol
Exact Mass120.13
IUPAC Name2-azaniumylethyl(2-hydroxypropyl)azanium
SMILESCC(O)C[NH2+]CC[NH3+]
InChIInChI=1S/C5H14N2O/c1-5(8)4-7-3-2-6/h5,7-8H,2-4,6H2,1H3/p+2
InChIKeyCWKVFRNCODQPDB-UHFFFAOYSA-P
XLogP-2.83
TPSA64.48 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.20
LogP ≤ 5-2.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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-azaniumylethyl(2-hydroxypropyl)azanium?
The IUPAC name of 2-azaniumylethyl(2-hydroxypropyl)azanium (CID 153316929) is 2-azaniumylethyl(2-hydroxypropyl)azanium.
What is the SMILES notation for 2-azaniumylethyl(2-hydroxypropyl)azanium?
The canonical SMILES for 2-azaniumylethyl(2-hydroxypropyl)azanium is CC(O)C[NH2+]CC[NH3+].
What is the InChIKey of 2-azaniumylethyl(2-hydroxypropyl)azanium?
The InChIKey is CWKVFRNCODQPDB-UHFFFAOYSA-P. The full InChI is InChI=1S/C5H14N2O/c1-5(8)4-7-3-2-6/h5,7-8H,2-4,6H2,1H3/p+2.
What are the key properties of 2-azaniumylethyl(2-hydroxypropyl)azanium?
2-azaniumylethyl(2-hydroxypropyl)azanium has a molecular weight of 120.20 g/mol, XLogP of -2.83, 4 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azaniumylethyl(2-hydroxypropyl)azanium is sourced from PubChem (CID 153316929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).