2,4-dimethylpenta-1,4-dienyl-ethyl-dimethylazanium

C11H22N+ — CID 91447037

IUPAC2,4-dimethylpenta-1,4-dienyl-ethyl-dimethylazanium
SMILESC=C(C)CC(C)=C[N+](C)(C)CC
InChIInChI=1S/C11H22N/c1-7-12(5,6)9-11(4)8-10(2)3/h9H,2,7-8H2,1,3-6H3/q+1
InChIKeyRCKDQFYHSCGYJK-UHFFFAOYSA-N
MW168.30 g/mol
LogP2.95
Rot. Bonds4

About 2,4-dimethylpenta-1,4-dienyl-ethyl-dimethylazanium

2,4-dimethylpenta-1,4-dienyl-ethyl-dimethylazanium (PubChem CID 91447037) has the molecular formula C11H22N+ and a molecular weight of 168.30 g/mol. Its IUPAC name is 2,4-dimethylpenta-1,4-dienyl-ethyl-dimethylazanium.

Molecular Properties

Compound Name2,4-dimethylpenta-1,4-dienyl-ethyl-dimethylazanium
PubChem CID91447037
Molecular FormulaC11H22N+
Molecular Weight168.30 g/mol
Exact Mass168.17
IUPAC Name2,4-dimethylpenta-1,4-dienyl-ethyl-dimethylazanium
SMILESC=C(C)CC(C)=C[N+](C)(C)CC
InChIInChI=1S/C11H22N/c1-7-12(5,6)9-11(4)8-10(2)3/h9H,2,7-8H2,1,3-6H3/q+1
InChIKeyRCKDQFYHSCGYJK-UHFFFAOYSA-N
XLogP2.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.30
LogP ≤ 52.95
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

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CID 12542934
N-(cyclohexylidenemethyl)-N-ethylethanamine
CID 12584844
N-dimethylaminohexene
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N,N-dimethylamino-hexene
CID 74010643
2-ethyl-N,N-dimethylbut-1-en-1-amine
CID 101374933
(Z)-4-fluoro-N,N,2-trimethyl-3-methylidenepent-1-en-1-amine
CID 143551208
(Z)-N-(2,2-dimethylpropyl)-4-fluoro-N,2-dimethyl-3-methylidenepent-1-en-1-amine
CID 146226342
(1Z)-2-ethyl-3-(fluoromethyl)-N,N-dimethylbuta-1,3-dien-1-amine
CID 154937376
(1E)-N-(2-fluoroethyl)-N,2,6-trimethylhepta-1,6-dien-1-amine
CID 155274989
(Z)-N-ethyl-6-fluoro-N,2-dimethyl-3-methylidenehept-1-en-1-amine
CID 156230267
N-(cyclopentylidenemethyl)-N-ethylethanamine
CID 12584846
(Z)-N,N,2-trimethylbut-1-en-1-amine
CID 12816149

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylpenta-1,4-dienyl-ethyl-dimethylazanium?
The IUPAC name of 2,4-dimethylpenta-1,4-dienyl-ethyl-dimethylazanium (CID 91447037) is 2,4-dimethylpenta-1,4-dienyl-ethyl-dimethylazanium.
What is the SMILES notation for 2,4-dimethylpenta-1,4-dienyl-ethyl-dimethylazanium?
The canonical SMILES for 2,4-dimethylpenta-1,4-dienyl-ethyl-dimethylazanium is C=C(C)CC(C)=C[N+](C)(C)CC.
What is the InChIKey of 2,4-dimethylpenta-1,4-dienyl-ethyl-dimethylazanium?
The InChIKey is RCKDQFYHSCGYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N/c1-7-12(5,6)9-11(4)8-10(2)3/h9H,2,7-8H2,1,3-6H3/q+1.
What are the key properties of 2,4-dimethylpenta-1,4-dienyl-ethyl-dimethylazanium?
2,4-dimethylpenta-1,4-dienyl-ethyl-dimethylazanium has a molecular weight of 168.30 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylpenta-1,4-dienyl-ethyl-dimethylazanium is sourced from PubChem (CID 91447037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).