(2-hydroxypropylamino)-trimethylazanium

C6H17N2O+ — CID 174341331

IUPAC(2-hydroxypropylamino)-trimethylazanium
SMILESCC(O)CN[N+](C)(C)C
InChIInChI=1S/C6H17N2O/c1-6(9)5-7-8(2,3)4/h6-7,9H,5H2,1-4H3/q+1
InChIKeyRJUCVAANXDCAFX-UHFFFAOYSA-N
MW133.22 g/mol
LogP-0.42
Rot. Bonds3

About (2-hydroxypropylamino)-trimethylazanium

(2-hydroxypropylamino)-trimethylazanium (PubChem CID 174341331) has the molecular formula C6H17N2O+ and a molecular weight of 133.22 g/mol. Its IUPAC name is (2-hydroxypropylamino)-trimethylazanium.

Molecular Properties

Compound Name(2-hydroxypropylamino)-trimethylazanium
PubChem CID174341331
Molecular FormulaC6H17N2O+
Molecular Weight133.22 g/mol
Exact Mass133.13
IUPAC Name(2-hydroxypropylamino)-trimethylazanium
SMILESCC(O)CN[N+](C)(C)C
InChIInChI=1S/C6H17N2O/c1-6(9)5-7-8(2,3)4/h6-7,9H,5H2,1-4H3/q+1
InChIKeyRJUCVAANXDCAFX-UHFFFAOYSA-N
XLogP-0.42
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.22
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-hydroxypropylamino)-trimethylazanium?
The IUPAC name of (2-hydroxypropylamino)-trimethylazanium (CID 174341331) is (2-hydroxypropylamino)-trimethylazanium.
What is the SMILES notation for (2-hydroxypropylamino)-trimethylazanium?
The canonical SMILES for (2-hydroxypropylamino)-trimethylazanium is CC(O)CN[N+](C)(C)C.
What is the InChIKey of (2-hydroxypropylamino)-trimethylazanium?
The InChIKey is RJUCVAANXDCAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H17N2O/c1-6(9)5-7-8(2,3)4/h6-7,9H,5H2,1-4H3/q+1.
What are the key properties of (2-hydroxypropylamino)-trimethylazanium?
(2-hydroxypropylamino)-trimethylazanium has a molecular weight of 133.22 g/mol, XLogP of -0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxypropylamino)-trimethylazanium is sourced from PubChem (CID 174341331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).