[(E)-hex-2-enyl]-dimethyl-prop-2-enylazanium

C11H22N+ — CID 153427948

IUPAC[(E)-hex-2-enyl]-dimethyl-prop-2-enylazanium
SMILESC=CC[N+](C)(C)C/C=C/CCC
InChIInChI=1S/C11H22N/c1-5-7-8-9-11-12(3,4)10-6-2/h6,8-9H,2,5,7,10-11H2,1,3-4H3/q+1/b9-8+
InChIKeyCSXMKLAGPNOUMD-CMDGGOBGSA-N
MW168.30 g/mol
LogP2.61
Rot. Bonds6

About [(E)-hex-2-enyl]-dimethyl-prop-2-enylazanium

[(E)-hex-2-enyl]-dimethyl-prop-2-enylazanium (PubChem CID 153427948) has the molecular formula C11H22N+ and a molecular weight of 168.30 g/mol. Its IUPAC name is [(E)-hex-2-enyl]-dimethyl-prop-2-enylazanium.

Molecular Properties

Compound Name[(E)-hex-2-enyl]-dimethyl-prop-2-enylazanium
PubChem CID153427948
Molecular FormulaC11H22N+
Molecular Weight168.30 g/mol
Exact Mass168.17
IUPAC Name[(E)-hex-2-enyl]-dimethyl-prop-2-enylazanium
SMILESC=CC[N+](C)(C)C/C=C/CCC
InChIInChI=1S/C11H22N/c1-5-7-8-9-11-12(3,4)10-6-2/h6,8-9H,2,5,7,10-11H2,1,3-4H3/q+1/b9-8+
InChIKeyCSXMKLAGPNOUMD-CMDGGOBGSA-N
XLogP2.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.30
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

henicos-2-enyl-dimethyl-prop-2-enylazanium
CID 141448717
[(E)-hex-2-enyl]-dimethyl-(2-methylprop-2-enyl)azanium
CID 101372296
dimethyl-bis(prop-2-enyl)azanium;polane;chloride
CID 173045035
dimethyl-bis(prop-2-enyl)azanium;chloride;hydrate
CID 141182046
dimethyl-bis[(E)-oct-2-enyl]azanium
CID 102116304
(5E)-nona-1,5-diene
CID 6429608
dimethyl-bis(prop-2-enyl)azanium;prop-2-en-1-amine;chloride
CID 174192098
butyl-dimethyl-prop-2-enylazanium iodide
CID 171383086
ethane;(E)-oct-4-ene
CID 142055407
(4Z,8E)-dodeca-4,8-diene
CID 12576906
(4E,8E)-dodeca-4,8-diene
CID 12576905
hexyl-dimethyl-prop-2-enylazanium
CID 123825197

Frequently Asked Questions

What is the IUPAC name of [(E)-hex-2-enyl]-dimethyl-prop-2-enylazanium?
The IUPAC name of [(E)-hex-2-enyl]-dimethyl-prop-2-enylazanium (CID 153427948) is [(E)-hex-2-enyl]-dimethyl-prop-2-enylazanium.
What is the SMILES notation for [(E)-hex-2-enyl]-dimethyl-prop-2-enylazanium?
The canonical SMILES for [(E)-hex-2-enyl]-dimethyl-prop-2-enylazanium is C=CC[N+](C)(C)C/C=C/CCC.
What is the InChIKey of [(E)-hex-2-enyl]-dimethyl-prop-2-enylazanium?
The InChIKey is CSXMKLAGPNOUMD-CMDGGOBGSA-N. The full InChI is InChI=1S/C11H22N/c1-5-7-8-9-11-12(3,4)10-6-2/h6,8-9H,2,5,7,10-11H2,1,3-4H3/q+1/b9-8+.
What are the key properties of [(E)-hex-2-enyl]-dimethyl-prop-2-enylazanium?
[(E)-hex-2-enyl]-dimethyl-prop-2-enylazanium has a molecular weight of 168.30 g/mol, XLogP of 2.61, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-hex-2-enyl]-dimethyl-prop-2-enylazanium is sourced from PubChem (CID 153427948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).