dimethyl-(6-oxohexyl)-prop-2-enylazanium

C11H22NO+ — CID 169160145

IUPACdimethyl-(6-oxohexyl)-prop-2-enylazanium
SMILESC=CC[N+](C)(C)CCCCCC=O
InChIInChI=1S/C11H22NO/c1-4-9-12(2,3)10-7-5-6-8-11-13/h4,11H,1,5-10H2,2-3H3/q+1
InChIKeyOTKZZTUSZZHBAG-UHFFFAOYSA-N
MW184.30 g/mol
LogP2.01
Rot. Bonds8

About dimethyl-(6-oxohexyl)-prop-2-enylazanium

dimethyl-(6-oxohexyl)-prop-2-enylazanium (PubChem CID 169160145) has the molecular formula C11H22NO+ and a molecular weight of 184.30 g/mol. Its IUPAC name is dimethyl-(6-oxohexyl)-prop-2-enylazanium.

Molecular Properties

Compound Namedimethyl-(6-oxohexyl)-prop-2-enylazanium
PubChem CID169160145
Molecular FormulaC11H22NO+
Molecular Weight184.30 g/mol
Exact Mass184.17
IUPAC Namedimethyl-(6-oxohexyl)-prop-2-enylazanium
SMILESC=CC[N+](C)(C)CCCCCC=O
InChIInChI=1S/C11H22NO/c1-4-9-12(2,3)10-7-5-6-8-11-13/h4,11H,1,5-10H2,2-3H3/q+1
InChIKeyOTKZZTUSZZHBAG-UHFFFAOYSA-N
XLogP2.01
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.30
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

hexyl-dimethyl-prop-2-enylazanium
CID 123825197
trimethyl(6-oxohexyl)azanium
CID 57072310
trimethyl(16-oxohexadecyl)azanium
CID 177225514
azane;decyl-dimethyl-prop-2-enylazanium;chloride;hydrochloride
CID 174658869
henicos-20-enal
CID 14559831
tridec-12-enal
CID 57284057
butyl-dimethyl-prop-2-enylazanium iodide
CID 171383086
trimethyl(5-oxopentyl)azanium chloride
CID 87319360
hexadecyl-dimethyl-(2-oxoethyl)azanium
CID 100926367
dec-9-enyl-ethyl-dimethylazanium
CID 129287044
dimethyl-bis(prop-2-enyl)azanium;polane;chloride
CID 173045035
dimethyl-bis(prop-2-enyl)azanium;chloride;hydrate
CID 141182046

Frequently Asked Questions

What is the IUPAC name of dimethyl-(6-oxohexyl)-prop-2-enylazanium?
The IUPAC name of dimethyl-(6-oxohexyl)-prop-2-enylazanium (CID 169160145) is dimethyl-(6-oxohexyl)-prop-2-enylazanium.
What is the SMILES notation for dimethyl-(6-oxohexyl)-prop-2-enylazanium?
The canonical SMILES for dimethyl-(6-oxohexyl)-prop-2-enylazanium is C=CC[N+](C)(C)CCCCCC=O.
What is the InChIKey of dimethyl-(6-oxohexyl)-prop-2-enylazanium?
The InChIKey is OTKZZTUSZZHBAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22NO/c1-4-9-12(2,3)10-7-5-6-8-11-13/h4,11H,1,5-10H2,2-3H3/q+1.
What are the key properties of dimethyl-(6-oxohexyl)-prop-2-enylazanium?
dimethyl-(6-oxohexyl)-prop-2-enylazanium has a molecular weight of 184.30 g/mol, XLogP of 2.01, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(6-oxohexyl)-prop-2-enylazanium is sourced from PubChem (CID 169160145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).