3-ethylpenta-1,2-dienyl(trimethyl)azanium chloride

C10H20ClN — CID 134932135

IUPAC3-ethylpenta-1,2-dienyl(trimethyl)azanium chloride
SMILESCCC(=C=C[N+](C)(C)C)CC.[Cl-]
InChIInChI=1S/C10H20N.ClH/c1-6-10(7-2)8-9-11(3,4)5;/h9H,6-7H2,1-5H3;1H/q+1;/p-1
InChIKeyJTEZVPHEVPDENC-UHFFFAOYSA-M
MW189.73 g/mol
LogP-0.44
Rot. Bonds3

About 3-ethylpenta-1,2-dienyl(trimethyl)azanium chloride

3-ethylpenta-1,2-dienyl(trimethyl)azanium chloride (PubChem CID 134932135) has the molecular formula C10H20ClN and a molecular weight of 189.73 g/mol. Its IUPAC name is 3-ethylpenta-1,2-dienyl(trimethyl)azanium chloride.

Molecular Properties

Compound Name3-ethylpenta-1,2-dienyl(trimethyl)azanium chloride
PubChem CID134932135
Molecular FormulaC10H20ClN
Molecular Weight189.73 g/mol
Exact Mass189.13
IUPAC Name3-ethylpenta-1,2-dienyl(trimethyl)azanium chloride
SMILESCCC(=C=C[N+](C)(C)C)CC.[Cl-]
InChIInChI=1S/C10H20N.ClH/c1-6-10(7-2)8-9-11(3,4)5;/h9H,6-7H2,1-5H3;1H/q+1;/p-1
InChIKeyJTEZVPHEVPDENC-UHFFFAOYSA-M
XLogP-0.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.73
LogP ≤ 5-0.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-N,N-dimethylbut-1-en-1-amine
CID 101374933
1-Diethylamino-2-methyl-1-pentene
CID 129663481
(Z)-N,N,2-trimethylhex-1-en-1-amine
CID 134875029
(Z)-2-ethyl-N,N-dimethylhex-1-en-1-amine
CID 134894583
Trimethyl-(4-methyl-3-propan-2-ylpenta-1,2-dienyl)azanium chloride
CID 134978577
2-ethyl-N,N-dimethylhex-1-en-1-amine
CID 154105506
(E)-N,N,2-trimethylhex-1-en-1-amine
CID 88206407
2,4-Dimethylpenta-1,4-dienyl-ethyl-dimethylazanium
CID 91447037
N,N-diethyl-2-methylbut-1-en-1-amine
CID 123267023
Diethyl-methyl-(2-methylbut-1-enyl)azanium
CID 123350579
2-ethyl-N-methyl-N-propylhexa-1,4,5-trien-1-amine
CID 123558604
N,N,2-Trimethyl-1-penten-1-amine
CID 123636868

Frequently Asked Questions

What is the IUPAC name of 3-ethylpenta-1,2-dienyl(trimethyl)azanium chloride?
The IUPAC name of 3-ethylpenta-1,2-dienyl(trimethyl)azanium chloride (CID 134932135) is 3-ethylpenta-1,2-dienyl(trimethyl)azanium chloride.
What is the SMILES notation for 3-ethylpenta-1,2-dienyl(trimethyl)azanium chloride?
The canonical SMILES for 3-ethylpenta-1,2-dienyl(trimethyl)azanium chloride is CCC(=C=C[N+](C)(C)C)CC.[Cl-].
What is the InChIKey of 3-ethylpenta-1,2-dienyl(trimethyl)azanium chloride?
The InChIKey is JTEZVPHEVPDENC-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H20N.ClH/c1-6-10(7-2)8-9-11(3,4)5;/h9H,6-7H2,1-5H3;1H/q+1;/p-1.
What are the key properties of 3-ethylpenta-1,2-dienyl(trimethyl)azanium chloride?
3-ethylpenta-1,2-dienyl(trimethyl)azanium chloride has a molecular weight of 189.73 g/mol, XLogP of -0.44, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylpenta-1,2-dienyl(trimethyl)azanium chloride is sourced from PubChem (CID 134932135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).