1-aminopropan-2-yl(trimethyl)azanium

C6H17N2+ — CID 22491691

IUPAC1-aminopropan-2-yl(trimethyl)azanium
SMILESCC(CN)[N+](C)(C)C
InChIInChI=1S/C6H17N2/c1-6(5-7)8(2,3)4/h6H,5,7H2,1-4H3/q+1
InChIKeyABDKDXAIJANLQO-UHFFFAOYSA-N
MW117.22 g/mol
LogP0.04
Rot. Bonds2

About 1-aminopropan-2-yl(trimethyl)azanium

1-aminopropan-2-yl(trimethyl)azanium (PubChem CID 22491691) has the molecular formula C6H17N2+ and a molecular weight of 117.22 g/mol. Its IUPAC name is 1-aminopropan-2-yl(trimethyl)azanium.

Molecular Properties

Compound Name1-aminopropan-2-yl(trimethyl)azanium
PubChem CID22491691
Molecular FormulaC6H17N2+
Molecular Weight117.22 g/mol
Exact Mass117.14
IUPAC Name1-aminopropan-2-yl(trimethyl)azanium
SMILESCC(CN)[N+](C)(C)C
InChIInChI=1S/C6H17N2/c1-6(5-7)8(2,3)4/h6H,5,7H2,1-4H3/q+1
InChIKeyABDKDXAIJANLQO-UHFFFAOYSA-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 1-aminopropan-2-yl(trimethyl)azanium?
The IUPAC name of 1-aminopropan-2-yl(trimethyl)azanium (CID 22491691) is 1-aminopropan-2-yl(trimethyl)azanium.
What is the SMILES notation for 1-aminopropan-2-yl(trimethyl)azanium?
The canonical SMILES for 1-aminopropan-2-yl(trimethyl)azanium is CC(CN)[N+](C)(C)C.
What is the InChIKey of 1-aminopropan-2-yl(trimethyl)azanium?
The InChIKey is ABDKDXAIJANLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H17N2/c1-6(5-7)8(2,3)4/h6H,5,7H2,1-4H3/q+1.
What are the key properties of 1-aminopropan-2-yl(trimethyl)azanium?
1-aminopropan-2-yl(trimethyl)azanium 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 1-aminopropan-2-yl(trimethyl)azanium is sourced from PubChem (CID 22491691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).