[(2R)-2-aminopropyl]-trimethylazanium

C6H17N2+ — CID 89262982

IUPAC[(2R)-2-aminopropyl]-trimethylazanium
SMILESC[C@@H](N)C[N+](C)(C)C
InChIInChI=1S/C6H17N2/c1-6(7)5-8(2,3)4/h6H,5,7H2,1-4H3/q+1/t6-/m1/s1
InChIKeyKIGGBCQQPRWPPJ-ZCFIWIBFSA-N
MW117.22 g/mol
LogP0.04
Rot. Bonds2

About [(2R)-2-aminopropyl]-trimethylazanium

[(2R)-2-aminopropyl]-trimethylazanium (PubChem CID 89262982) has the molecular formula C6H17N2+ and a molecular weight of 117.22 g/mol. Its IUPAC name is [(2R)-2-aminopropyl]-trimethylazanium.

Molecular Properties

Compound Name[(2R)-2-aminopropyl]-trimethylazanium
PubChem CID89262982
Molecular FormulaC6H17N2+
Molecular Weight117.22 g/mol
Exact Mass117.14
IUPAC Name[(2R)-2-aminopropyl]-trimethylazanium
SMILESC[C@@H](N)C[N+](C)(C)C
InChIInChI=1S/C6H17N2/c1-6(7)5-8(2,3)4/h6H,5,7H2,1-4H3/q+1/t6-/m1/s1
InChIKeyKIGGBCQQPRWPPJ-ZCFIWIBFSA-N
XLogP0.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.22
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 [(2R)-2-aminopropyl]-trimethylazanium?
The IUPAC name of [(2R)-2-aminopropyl]-trimethylazanium (CID 89262982) is [(2R)-2-aminopropyl]-trimethylazanium.
What is the SMILES notation for [(2R)-2-aminopropyl]-trimethylazanium?
The canonical SMILES for [(2R)-2-aminopropyl]-trimethylazanium is C[C@@H](N)C[N+](C)(C)C.
What is the InChIKey of [(2R)-2-aminopropyl]-trimethylazanium?
The InChIKey is KIGGBCQQPRWPPJ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H17N2/c1-6(7)5-8(2,3)4/h6H,5,7H2,1-4H3/q+1/t6-/m1/s1.
What are the key properties of [(2R)-2-aminopropyl]-trimethylazanium?
[(2R)-2-aminopropyl]-trimethylazanium has a molecular weight of 117.22 g/mol, XLogP of 0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-aminopropyl]-trimethylazanium is sourced from PubChem (CID 89262982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).