3-ethoxypropylazanium

C5H14NO+ — CID 6992743

IUPAC3-ethoxypropylazanium
SMILESCCOCCC[NH3+]
InChIInChI=1S/C5H13NO/c1-2-7-5-3-4-6/h2-6H2,1H3/p+1
InChIKeySOYBEXQHNURCGE-UHFFFAOYSA-O
MW104.17 g/mol
LogP-0.35
Rot. Bonds4

About 3-ethoxypropylazanium

3-ethoxypropylazanium (PubChem CID 6992743) has the molecular formula C5H14NO+ and a molecular weight of 104.17 g/mol. Its IUPAC name is 3-ethoxypropylazanium.

Molecular Properties

Compound Name3-ethoxypropylazanium
PubChem CID6992743
Molecular FormulaC5H14NO+
Molecular Weight104.17 g/mol
Exact Mass104.11
IUPAC Name3-ethoxypropylazanium
SMILESCCOCCC[NH3+]
InChIInChI=1S/C5H13NO/c1-2-7-5-3-4-6/h2-6H2,1H3/p+1
InChIKeySOYBEXQHNURCGE-UHFFFAOYSA-O
XLogP-0.35
TPSA36.87 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.17
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-Methoxypropylamine
CID 1672
Propanolamine ethyl ether
CID 22720
Ethoxyethylamine
CID 66970
3-Isopropoxypropylamine
CID 76194
1-Propanamine, 3-butoxy-
CID 85461
1-Propanamine, 3-(2-methoxyethoxy)-
CID 108574
Bis(3-aminopropyl) Ether
CID 12841412
2-Propoxyethylamine
CID 111878
3-Isobutoxypropylamine
CID 98668
Propylamine, 3-(2'-fluoroethoxy)-
CID 68969
4-Methoxybutan-2-amine
CID 17856440
2-Butoxyethylamine
CID 80643

Frequently Asked Questions

What is the IUPAC name of 3-ethoxypropylazanium?
The IUPAC name of 3-ethoxypropylazanium (CID 6992743) is 3-ethoxypropylazanium.
What is the SMILES notation for 3-ethoxypropylazanium?
The canonical SMILES for 3-ethoxypropylazanium is CCOCCC[NH3+].
What is the InChIKey of 3-ethoxypropylazanium?
The InChIKey is SOYBEXQHNURCGE-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H13NO/c1-2-7-5-3-4-6/h2-6H2,1H3/p+1.
What are the key properties of 3-ethoxypropylazanium?
3-ethoxypropylazanium has a molecular weight of 104.17 g/mol, XLogP of -0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxypropylazanium is sourced from PubChem (CID 6992743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).