(1-amino-3-oxopropan-2-yl)-trimethylazanium

C6H15N2O+ — CID 174760180

IUPAC(1-amino-3-oxopropan-2-yl)-trimethylazanium
SMILESC[N+](C)(C)C(C=O)CN
InChIInChI=1S/C6H15N2O/c1-8(2,3)6(4-7)5-9/h5-6H,4,7H2,1-3H3/q+1
InChIKeyZEQFSRCMJONCGU-UHFFFAOYSA-N
MW131.20 g/mol
LogP-0.78
Rot. Bonds3

About (1-amino-3-oxopropan-2-yl)-trimethylazanium

(1-amino-3-oxopropan-2-yl)-trimethylazanium (PubChem CID 174760180) has the molecular formula C6H15N2O+ and a molecular weight of 131.20 g/mol. Its IUPAC name is (1-amino-3-oxopropan-2-yl)-trimethylazanium.

Molecular Properties

Compound Name(1-amino-3-oxopropan-2-yl)-trimethylazanium
PubChem CID174760180
Molecular FormulaC6H15N2O+
Molecular Weight131.20 g/mol
Exact Mass131.12
IUPAC Name(1-amino-3-oxopropan-2-yl)-trimethylazanium
SMILESC[N+](C)(C)C(C=O)CN
InChIInChI=1S/C6H15N2O/c1-8(2,3)6(4-7)5-9/h5-6H,4,7H2,1-3H3/q+1
InChIKeyZEQFSRCMJONCGU-UHFFFAOYSA-N
XLogP-0.78
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.20
LogP ≤ 5-0.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

trimethyl(1-oxobutan-2-yl)azanium
CID 89178917
[(Z,2S)-5-amino-1-oxo-4-(prop-1-en-2-ylamino)pent-4-en-2-yl]-trimethylazanium
CID 89276595
1-aminopropan-2-yl(trimethyl)azanium
CID 22491691
3-amino-2-methylsulfanylpropanal
CID 147057489
(1-hydrazinyl-2-oxoethyl)-trimethylazanium chloride
CID 122696324
3-amino-2-piperidin-1-ylpropanal
CID 131967781
1-aminopentan-2-yl(trimethyl)azanium;hydrochloride
CID 174688160
2-aminoethanol;2-hydroxypropanal
CID 88787093
(2S)-2-(aminomethyl)-3,3,3-trifluoropropanal
CID 155001626
aminomethyl-dihydroxy-methylphosphanium
CID 6395030
2-(aminomethyl)-4-methoxypentanal
CID 142040196
(2-hydroxy-3-oxopropyl)-trimethylazanium chloride
CID 158373380

Frequently Asked Questions

What is the IUPAC name of (1-amino-3-oxopropan-2-yl)-trimethylazanium?
The IUPAC name of (1-amino-3-oxopropan-2-yl)-trimethylazanium (CID 174760180) is (1-amino-3-oxopropan-2-yl)-trimethylazanium.
What is the SMILES notation for (1-amino-3-oxopropan-2-yl)-trimethylazanium?
The canonical SMILES for (1-amino-3-oxopropan-2-yl)-trimethylazanium is C[N+](C)(C)C(C=O)CN.
What is the InChIKey of (1-amino-3-oxopropan-2-yl)-trimethylazanium?
The InChIKey is ZEQFSRCMJONCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N2O/c1-8(2,3)6(4-7)5-9/h5-6H,4,7H2,1-3H3/q+1.
What are the key properties of (1-amino-3-oxopropan-2-yl)-trimethylazanium?
(1-amino-3-oxopropan-2-yl)-trimethylazanium has a molecular weight of 131.20 g/mol, XLogP of -0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-3-oxopropan-2-yl)-trimethylazanium is sourced from PubChem (CID 174760180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).