1-aminopropyl-(2-hydroxyethyl)-dimethylazanium

C7H19N2O+ — CID 19020163

IUPAC1-aminopropyl-(2-hydroxyethyl)-dimethylazanium
SMILESCCC(N)[N+](C)(C)CCO
InChIInChI=1S/C7H19N2O/c1-4-7(8)9(2,3)5-6-10/h7,10H,4-6,8H2,1-3H3/q+1
InChIKeyBIZDOBIOWVHDSC-UHFFFAOYSA-N
MW147.24 g/mol
LogP-0.25
Rot. Bonds4

About 1-aminopropyl-(2-hydroxyethyl)-dimethylazanium

1-aminopropyl-(2-hydroxyethyl)-dimethylazanium (PubChem CID 19020163) has the molecular formula C7H19N2O+ and a molecular weight of 147.24 g/mol. Its IUPAC name is 1-aminopropyl-(2-hydroxyethyl)-dimethylazanium.

Molecular Properties

Compound Name1-aminopropyl-(2-hydroxyethyl)-dimethylazanium
PubChem CID19020163
Molecular FormulaC7H19N2O+
Molecular Weight147.24 g/mol
Exact Mass147.15
IUPAC Name1-aminopropyl-(2-hydroxyethyl)-dimethylazanium
SMILESCCC(N)[N+](C)(C)CCO
InChIInChI=1S/C7H19N2O/c1-4-7(8)9(2,3)5-6-10/h7,10H,4-6,8H2,1-3H3/q+1
InChIKeyBIZDOBIOWVHDSC-UHFFFAOYSA-N
XLogP-0.25
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.24
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-aminopropyl-(2-hydroxyethyl)-dimethylazanium?
The IUPAC name of 1-aminopropyl-(2-hydroxyethyl)-dimethylazanium (CID 19020163) is 1-aminopropyl-(2-hydroxyethyl)-dimethylazanium.
What is the SMILES notation for 1-aminopropyl-(2-hydroxyethyl)-dimethylazanium?
The canonical SMILES for 1-aminopropyl-(2-hydroxyethyl)-dimethylazanium is CCC(N)[N+](C)(C)CCO.
What is the InChIKey of 1-aminopropyl-(2-hydroxyethyl)-dimethylazanium?
The InChIKey is BIZDOBIOWVHDSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H19N2O/c1-4-7(8)9(2,3)5-6-10/h7,10H,4-6,8H2,1-3H3/q+1.
What are the key properties of 1-aminopropyl-(2-hydroxyethyl)-dimethylazanium?
1-aminopropyl-(2-hydroxyethyl)-dimethylazanium has a molecular weight of 147.24 g/mol, XLogP of -0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminopropyl-(2-hydroxyethyl)-dimethylazanium is sourced from PubChem (CID 19020163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).