3-aminopropyl-(2-hydroxyethyl)-dimethylazanium

C7H19N2O+ — CID 57156336

IUPAC3-aminopropyl-(2-hydroxyethyl)-dimethylazanium
SMILESC[N+](C)(CCO)CCCN
InChIInChI=1S/C7H19N2O/c1-9(2,6-7-10)5-3-4-8/h10H,3-8H2,1-2H3/q+1
InChIKeyQHPOAVNPSLXVRA-UHFFFAOYSA-N
MW147.24 g/mol
LogP-0.60
Rot. Bonds5

About 3-aminopropyl-(2-hydroxyethyl)-dimethylazanium

3-aminopropyl-(2-hydroxyethyl)-dimethylazanium (PubChem CID 57156336) has the molecular formula C7H19N2O+ and a molecular weight of 147.24 g/mol. Its IUPAC name is 3-aminopropyl-(2-hydroxyethyl)-dimethylazanium.

Molecular Properties

Compound Name3-aminopropyl-(2-hydroxyethyl)-dimethylazanium
PubChem CID57156336
Molecular FormulaC7H19N2O+
Molecular Weight147.24 g/mol
Exact Mass147.15
IUPAC Name3-aminopropyl-(2-hydroxyethyl)-dimethylazanium
SMILESC[N+](C)(CCO)CCCN
InChIInChI=1S/C7H19N2O/c1-9(2,6-7-10)5-3-4-8/h10H,3-8H2,1-2H3/q+1
InChIKeyQHPOAVNPSLXVRA-UHFFFAOYSA-N
XLogP-0.60
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.24
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 3-aminopropyl-(2-hydroxyethyl)-dimethylazanium?
The IUPAC name of 3-aminopropyl-(2-hydroxyethyl)-dimethylazanium (CID 57156336) is 3-aminopropyl-(2-hydroxyethyl)-dimethylazanium.
What is the SMILES notation for 3-aminopropyl-(2-hydroxyethyl)-dimethylazanium?
The canonical SMILES for 3-aminopropyl-(2-hydroxyethyl)-dimethylazanium is C[N+](C)(CCO)CCCN.
What is the InChIKey of 3-aminopropyl-(2-hydroxyethyl)-dimethylazanium?
The InChIKey is QHPOAVNPSLXVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H19N2O/c1-9(2,6-7-10)5-3-4-8/h10H,3-8H2,1-2H3/q+1.
What are the key properties of 3-aminopropyl-(2-hydroxyethyl)-dimethylazanium?
3-aminopropyl-(2-hydroxyethyl)-dimethylazanium has a molecular weight of 147.24 g/mol, XLogP of -0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminopropyl-(2-hydroxyethyl)-dimethylazanium is sourced from PubChem (CID 57156336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).