but-1-ene;ethyl-dimethyl-prop-2-enylazanium;chloride

C11H24ClN — CID 174921131

IUPACbut-1-ene;ethyl-dimethyl-prop-2-enylazanium;chloride
SMILESC=CCC.C=CC[N+](C)(C)CC.[Cl-]
InChIInChI=1S/C7H16N.C4H8.ClH/c1-5-7-8(3,4)6-2;1-3-4-2;/h5H,1,6-7H2,2-4H3;3H,1,4H2,2H3;1H/q+1;;/p-1
InChIKeyZKWIOIWVSHHIRV-UHFFFAOYSA-M
MW205.77 g/mol
LogP-0.14
Rot. Bonds4

About but-1-ene;ethyl-dimethyl-prop-2-enylazanium;chloride

but-1-ene;ethyl-dimethyl-prop-2-enylazanium;chloride (PubChem CID 174921131) has the molecular formula C11H24ClN and a molecular weight of 205.77 g/mol. Its IUPAC name is but-1-ene;ethyl-dimethyl-prop-2-enylazanium;chloride.

Molecular Properties

Compound Namebut-1-ene;ethyl-dimethyl-prop-2-enylazanium;chloride
PubChem CID174921131
Molecular FormulaC11H24ClN
Molecular Weight205.77 g/mol
Exact Mass205.16
IUPAC Namebut-1-ene;ethyl-dimethyl-prop-2-enylazanium;chloride
SMILESC=CCC.C=CC[N+](C)(C)CC.[Cl-]
InChIInChI=1S/C7H16N.C4H8.ClH/c1-5-7-8(3,4)6-2;1-3-4-2;/h5H,1,6-7H2,2-4H3;3H,1,4H2,2H3;1H/q+1;;/p-1
InChIKeyZKWIOIWVSHHIRV-UHFFFAOYSA-M
XLogP-0.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.77
LogP ≤ 5-0.14
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

dimethyl-bis(prop-2-enyl)azanium;prop-2-en-1-amine;chloride
CID 174192098
dimethyl-bis(prop-2-enyl)azanium;polane;chloride
CID 173045035
dimethyl-bis(prop-2-enyl)azanium;chloride;hydrate
CID 141182046
but-1-ene;tetrakis(prop-2-enyl)azanium
CID 174931498
but-1-ene;ethane;ethene;propane
CID 144521241
but-1-ene;ethene
CID 19017343
but-1-ene;dihydrofluoride
CID 175726295
methyl-tris(prop-2-enyl)azanium;chloride;hydrate
CID 139647541
butyl-dimethyl-prop-2-enylazanium iodide
CID 171383086
azane;decyl-dimethyl-prop-2-enylazanium;chloride;hydrochloride
CID 174658869
hexyl-dimethyl-prop-2-enylazanium
CID 123825197
[(E)-hex-2-enyl]-dimethyl-prop-2-enylazanium
CID 153427948

Frequently Asked Questions

What is the IUPAC name of but-1-ene;ethyl-dimethyl-prop-2-enylazanium;chloride?
The IUPAC name of but-1-ene;ethyl-dimethyl-prop-2-enylazanium;chloride (CID 174921131) is but-1-ene;ethyl-dimethyl-prop-2-enylazanium;chloride.
What is the SMILES notation for but-1-ene;ethyl-dimethyl-prop-2-enylazanium;chloride?
The canonical SMILES for but-1-ene;ethyl-dimethyl-prop-2-enylazanium;chloride is C=CCC.C=CC[N+](C)(C)CC.[Cl-].
What is the InChIKey of but-1-ene;ethyl-dimethyl-prop-2-enylazanium;chloride?
The InChIKey is ZKWIOIWVSHHIRV-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H16N.C4H8.ClH/c1-5-7-8(3,4)6-2;1-3-4-2;/h5H,1,6-7H2,2-4H3;3H,1,4H2,2H3;1H/q+1;;/p-1.
What are the key properties of but-1-ene;ethyl-dimethyl-prop-2-enylazanium;chloride?
but-1-ene;ethyl-dimethyl-prop-2-enylazanium;chloride has a molecular weight of 205.77 g/mol, XLogP of -0.14, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-ene;ethyl-dimethyl-prop-2-enylazanium;chloride is sourced from PubChem (CID 174921131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).