3-ethylpent-2-enyl(dimethyl)azanium chloride

C9H20ClN — CID 87098668

IUPAC3-ethylpent-2-enyl(dimethyl)azanium chloride
SMILESCCC(=CC[NH+](C)C)CC.[Cl-]
InChIInChI=1S/C9H19N.ClH/c1-5-9(6-2)7-8-10(3)4;/h7H,5-6,8H2,1-4H3;1H
InChIKeyPYYKQJSQQPVKIC-UHFFFAOYSA-N
MW177.72 g/mol
LogP-2.12
Rot. Bonds4

About 3-ethylpent-2-enyl(dimethyl)azanium chloride

3-ethylpent-2-enyl(dimethyl)azanium chloride (PubChem CID 87098668) has the molecular formula C9H20ClN and a molecular weight of 177.72 g/mol. Its IUPAC name is 3-ethylpent-2-enyl(dimethyl)azanium chloride.

Molecular Properties

Compound Name3-ethylpent-2-enyl(dimethyl)azanium chloride
PubChem CID87098668
Molecular FormulaC9H20ClN
Molecular Weight177.72 g/mol
Exact Mass177.13
IUPAC Name3-ethylpent-2-enyl(dimethyl)azanium chloride
SMILESCCC(=CC[NH+](C)C)CC.[Cl-]
InChIInChI=1S/C9H19N.ClH/c1-5-9(6-2)7-8-10(3)4;/h7H,5-6,8H2,1-4H3;1H
InChIKeyPYYKQJSQQPVKIC-UHFFFAOYSA-N
XLogP-2.12
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.72
LogP ≤ 5-2.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3-ethylpent-2-en-1-amine
CID 63969670
1-chloro-3-ethylpent-2-ene
CID 15197587
3-(2-ethylbut-1-enoxymethylidene)pentane
CID 69017814
dimethyl(2-oxoethyl)azanium chloride
CID 22267132
3-carboxyprop-2-enyl(dimethyl)azanium
CID 147981212
2-ethylpent-2-enylphosphane
CID 91471164
(Z)-3-ethyl-N,N-dimethyloct-2-en-1-amine
CID 87744529
methyl 7,11-diethyl-3-methyltrideca-2,6,10-trienoate
CID 71369949
2-ethylbut-2-ene-1,4-diamine
CID 175910887
(E)-5-ethyldec-4-ene
CID 173194379
(E)-3-ethyloct-2-en-1-ol
CID 13383767
(Z)-6-ethylundec-5-ene
CID 102395453

Frequently Asked Questions

What is the IUPAC name of 3-ethylpent-2-enyl(dimethyl)azanium chloride?
The IUPAC name of 3-ethylpent-2-enyl(dimethyl)azanium chloride (CID 87098668) is 3-ethylpent-2-enyl(dimethyl)azanium chloride.
What is the SMILES notation for 3-ethylpent-2-enyl(dimethyl)azanium chloride?
The canonical SMILES for 3-ethylpent-2-enyl(dimethyl)azanium chloride is CCC(=CC[NH+](C)C)CC.[Cl-].
What is the InChIKey of 3-ethylpent-2-enyl(dimethyl)azanium chloride?
The InChIKey is PYYKQJSQQPVKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N.ClH/c1-5-9(6-2)7-8-10(3)4;/h7H,5-6,8H2,1-4H3;1H.
What are the key properties of 3-ethylpent-2-enyl(dimethyl)azanium chloride?
3-ethylpent-2-enyl(dimethyl)azanium chloride has a molecular weight of 177.72 g/mol, XLogP of -2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylpent-2-enyl(dimethyl)azanium chloride is sourced from PubChem (CID 87098668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).