trimethyl(prop-2-enyl)azanium hydroxide

C6H15NO — CID 10424

IUPACtrimethyl(prop-2-enyl)azanium hydroxide
SMILESC=CC[N+](C)(C)C.[OH-]
InChIInChI=1S/C6H14N.H2O/c1-5-6-7(2,3)4;/h5H,1,6H2,2-4H3;1H2/q+1;/p-1
InChIKeyJHNLSXMXTIQPSC-UHFFFAOYSA-M
MW117.19 g/mol
LogP0.70
Rot. Bonds2

About trimethyl(prop-2-enyl)azanium hydroxide

trimethyl(prop-2-enyl)azanium hydroxide (PubChem CID 10424) has the molecular formula C6H15NO and a molecular weight of 117.19 g/mol. Its IUPAC name is trimethyl(prop-2-enyl)azanium hydroxide.

Molecular Properties

Compound Nametrimethyl(prop-2-enyl)azanium hydroxide
PubChem CID10424
Molecular FormulaC6H15NO
Molecular Weight117.19 g/mol
Exact Mass117.12
IUPAC Nametrimethyl(prop-2-enyl)azanium hydroxide
SMILESC=CC[N+](C)(C)C.[OH-]
InChIInChI=1S/C6H14N.H2O/c1-5-6-7(2,3)4;/h5H,1,6H2,2-4H3;1H2/q+1;/p-1
InChIKeyJHNLSXMXTIQPSC-UHFFFAOYSA-M
XLogP0.70
TPSA30.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.19
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Allyltrimethylammonium chloride
CID 15198
N,N-Dimethylallylamine
CID 75082
Diallylmethylamine
CID 75501
2-Propen-1-amine, N,N-diethyl-
CID 79748
2-Propen-1-aminium, N,N,N-trimethyl-, bromide (1:1)
CID 76358
Allyl-trimethyl-ammonium
CID 10425
N,N,N-Trimethylprop-2-en-1-aminium iodide
CID 26005
N-Ethyl-N-methyl-2-propen-1-amine
CID 558363
N-methyl diallylamine hydrochloride
CID 71354557
Diallylethylamine
CID 535233
[(2e)-But-2-enyl]dimethylamine
CID 12256619
2-Propen-1-amine, N,N-dimethyl-, hydrochloride
CID 12273609

Frequently Asked Questions

What is the IUPAC name of trimethyl(prop-2-enyl)azanium hydroxide?
The IUPAC name of trimethyl(prop-2-enyl)azanium hydroxide (CID 10424) is trimethyl(prop-2-enyl)azanium hydroxide.
What is the SMILES notation for trimethyl(prop-2-enyl)azanium hydroxide?
The canonical SMILES for trimethyl(prop-2-enyl)azanium hydroxide is C=CC[N+](C)(C)C.[OH-].
What is the InChIKey of trimethyl(prop-2-enyl)azanium hydroxide?
The InChIKey is JHNLSXMXTIQPSC-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H14N.H2O/c1-5-6-7(2,3)4;/h5H,1,6H2,2-4H3;1H2/q+1;/p-1.
What are the key properties of trimethyl(prop-2-enyl)azanium hydroxide?
trimethyl(prop-2-enyl)azanium hydroxide has a molecular weight of 117.19 g/mol, XLogP of 0.70, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(prop-2-enyl)azanium hydroxide is sourced from PubChem (CID 10424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).