azane;formic acid;2-hydroxypropyl(trimethyl)azanium

C7H21N2O3+ — CID 174711582

IUPACazane;formic acid;2-hydroxypropyl(trimethyl)azanium
SMILESCC(O)C[N+](C)(C)C.N.O=CO
InChIInChI=1S/C6H16NO.CH2O2.H3N/c1-6(8)5-7(2,3)4;2-1-3;/h6,8H,5H2,1-4H3;1H,(H,2,3);1H3/q+1;;
InChIKeyBJGQEBNLIPEPSN-UHFFFAOYSA-N
MW181.26 g/mol
LogP-0.06
Rot. Bonds2

About azane;formic acid;2-hydroxypropyl(trimethyl)azanium

azane;formic acid;2-hydroxypropyl(trimethyl)azanium (PubChem CID 174711582) has the molecular formula C7H21N2O3+ and a molecular weight of 181.26 g/mol. Its IUPAC name is azane;formic acid;2-hydroxypropyl(trimethyl)azanium.

Molecular Properties

Compound Nameazane;formic acid;2-hydroxypropyl(trimethyl)azanium
PubChem CID174711582
Molecular FormulaC7H21N2O3+
Molecular Weight181.26 g/mol
Exact Mass181.15
IUPAC Nameazane;formic acid;2-hydroxypropyl(trimethyl)azanium
SMILESCC(O)C[N+](C)(C)C.N.O=CO
InChIInChI=1S/C6H16NO.CH2O2.H3N/c1-6(8)5-7(2,3)4;2-1-3;/h6,8H,5H2,1-4H3;1H,(H,2,3);1H3/q+1;;
InChIKeyBJGQEBNLIPEPSN-UHFFFAOYSA-N
XLogP-0.06
TPSA92.53 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

2-hydroxypropyl(trimethyl)azanium iodide
CID 10263892
carbonic acid;2-hydroxypropyl(trimethyl)azanium
CID 174974136
bis(2-hydroxypropyl(trimethyl)azanium);dichloride;hydrate
CID 173377336
N,N-dimethylmethanamine;2-hydroxypropyl(trimethyl)azanium
CID 87756343
2-hydroxypropyl(trimethyl)azanium;perchloric acid
CID 87344465
2-hydroxypropyl(trimethyl)azanium;prop-2-enamide;chloride
CID 160609896
2-hydroxypropyl(trimethyl)azanium;2-methylprop-2-enoate;hydrochloride
CID 175459038
(2-hydroxy-3-oxopropyl)-trimethylazanium chloride
CID 158373380
2-hydroxypropyl(trimethyl)azanium;octadecanoate
CID 141310032
azane;formic acid;sulfane
CID 172775815
2-hydroxypropyl(trimethyl)azanium;8-methylnonanoate
CID 86734985
azane;formic acid
CID 173072725

Frequently Asked Questions

What is the IUPAC name of azane;formic acid;2-hydroxypropyl(trimethyl)azanium?
The IUPAC name of azane;formic acid;2-hydroxypropyl(trimethyl)azanium (CID 174711582) is azane;formic acid;2-hydroxypropyl(trimethyl)azanium.
What is the SMILES notation for azane;formic acid;2-hydroxypropyl(trimethyl)azanium?
The canonical SMILES for azane;formic acid;2-hydroxypropyl(trimethyl)azanium is CC(O)C[N+](C)(C)C.N.O=CO.
What is the InChIKey of azane;formic acid;2-hydroxypropyl(trimethyl)azanium?
The InChIKey is BJGQEBNLIPEPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16NO.CH2O2.H3N/c1-6(8)5-7(2,3)4;2-1-3;/h6,8H,5H2,1-4H3;1H,(H,2,3);1H3/q+1;;.
What are the key properties of azane;formic acid;2-hydroxypropyl(trimethyl)azanium?
azane;formic acid;2-hydroxypropyl(trimethyl)azanium has a molecular weight of 181.26 g/mol, XLogP of -0.06, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;formic acid;2-hydroxypropyl(trimethyl)azanium is sourced from PubChem (CID 174711582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).