(3-ethyl-2-methylpent-2-enylidene)-dimethylazanium

C10H20N+ — CID 167045238

IUPAC(3-ethyl-2-methylpent-2-enylidene)-dimethylazanium
SMILESCCC(CC)=C(C)C=[N+](C)C
InChIInChI=1S/C10H20N/c1-6-10(7-2)9(3)8-11(4)5/h8H,6-7H2,1-5H3/q+1
InChIKeyLQSBENJIHJFQOJ-UHFFFAOYSA-N
MW154.28 g/mol
LogP2.47
Rot. Bonds3

About (3-ethyl-2-methylpent-2-enylidene)-dimethylazanium

(3-ethyl-2-methylpent-2-enylidene)-dimethylazanium (PubChem CID 167045238) has the molecular formula C10H20N+ and a molecular weight of 154.28 g/mol. Its IUPAC name is (3-ethyl-2-methylpent-2-enylidene)-dimethylazanium.

Molecular Properties

Compound Name(3-ethyl-2-methylpent-2-enylidene)-dimethylazanium
PubChem CID167045238
Molecular FormulaC10H20N+
Molecular Weight154.28 g/mol
Exact Mass154.16
IUPAC Name(3-ethyl-2-methylpent-2-enylidene)-dimethylazanium
SMILESCCC(CC)=C(C)C=[N+](C)C
InChIInChI=1S/C10H20N/c1-6-10(7-2)9(3)8-11(4)5/h8H,6-7H2,1-5H3/q+1
InChIKeyLQSBENJIHJFQOJ-UHFFFAOYSA-N
XLogP2.47
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.28
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-ethyl-2-methylpent-2-enylidene)-dimethylazanium?
The IUPAC name of (3-ethyl-2-methylpent-2-enylidene)-dimethylazanium (CID 167045238) is (3-ethyl-2-methylpent-2-enylidene)-dimethylazanium.
What is the SMILES notation for (3-ethyl-2-methylpent-2-enylidene)-dimethylazanium?
The canonical SMILES for (3-ethyl-2-methylpent-2-enylidene)-dimethylazanium is CCC(CC)=C(C)C=[N+](C)C.
What is the InChIKey of (3-ethyl-2-methylpent-2-enylidene)-dimethylazanium?
The InChIKey is LQSBENJIHJFQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N/c1-6-10(7-2)9(3)8-11(4)5/h8H,6-7H2,1-5H3/q+1.
What are the key properties of (3-ethyl-2-methylpent-2-enylidene)-dimethylazanium?
(3-ethyl-2-methylpent-2-enylidene)-dimethylazanium has a molecular weight of 154.28 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-2-methylpent-2-enylidene)-dimethylazanium is sourced from PubChem (CID 167045238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).