2-(dimethylamino)ethyl-dimethyl-pent-4-enylazanium

C11H25N2+ — CID 155589580

IUPAC2-(dimethylamino)ethyl-dimethyl-pent-4-enylazanium
SMILESC=CCCC[N+](C)(C)CCN(C)C
InChIInChI=1S/C11H25N2/c1-6-7-8-10-13(4,5)11-9-12(2)3/h6H,1,7-11H2,2-5H3/q+1
InChIKeyXNRPSGGJZVOCLU-UHFFFAOYSA-N
MW185.33 g/mol
LogP1.59
Rot. Bonds7

About 2-(dimethylamino)ethyl-dimethyl-pent-4-enylazanium

2-(dimethylamino)ethyl-dimethyl-pent-4-enylazanium (PubChem CID 155589580) has the molecular formula C11H25N2+ and a molecular weight of 185.33 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl-dimethyl-pent-4-enylazanium.

Molecular Properties

Compound Name2-(dimethylamino)ethyl-dimethyl-pent-4-enylazanium
PubChem CID155589580
Molecular FormulaC11H25N2+
Molecular Weight185.33 g/mol
Exact Mass185.20
IUPAC Name2-(dimethylamino)ethyl-dimethyl-pent-4-enylazanium
SMILESC=CCCC[N+](C)(C)CCN(C)C
InChIInChI=1S/C11H25N2/c1-6-7-8-10-13(4,5)11-9-12(2)3/h6H,1,7-11H2,2-5H3/q+1
InChIKeyXNRPSGGJZVOCLU-UHFFFAOYSA-N
XLogP1.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.33
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethyl-dimethyl-pent-4-enylazanium
CID 139860339
N,N-dimethylpent-4-en-1-amine;ethane
CID 155570199
2-(dimethylamino)ethyl-dimethyl-(3-trihydroxysilylpropyl)azanium
CID 58037068
2-(dimethylamino)ethyl-icosyl-dimethylazanium
CID 72947262
2-(dimethylamino)ethyl-dimethyl-octylazanium
CID 14625803
dodecyl-hex-5-enyl-dimethylazanium
CID 14625828
bis[10-(dimethylamino)decyl]-dimethylazanium;ethane
CID 163265198
2-hydroxyethyl-dimethyl-[2-[methyl(oct-7-enoyl)amino]ethyl]azanium
CID 101277775
dec-9-enyl-ethyl-dimethylazanium
CID 129287044
carbanide;N,N-dimethylbut-3-en-1-amine;hexa-1,5-diene;tris(platinum(4+));N,N,N',N'-tetramethylethane-1,2-diamine
CID 161382891
buta-1,3-diene;N,N,N',N'-tetramethylethane-1,2-diamine
CID 160608362
6-(dimethylamino)hexyl-dodecyl-dimethylazanium
CID 86012356

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl-dimethyl-pent-4-enylazanium?
The IUPAC name of 2-(dimethylamino)ethyl-dimethyl-pent-4-enylazanium (CID 155589580) is 2-(dimethylamino)ethyl-dimethyl-pent-4-enylazanium.
What is the SMILES notation for 2-(dimethylamino)ethyl-dimethyl-pent-4-enylazanium?
The canonical SMILES for 2-(dimethylamino)ethyl-dimethyl-pent-4-enylazanium is C=CCCC[N+](C)(C)CCN(C)C.
What is the InChIKey of 2-(dimethylamino)ethyl-dimethyl-pent-4-enylazanium?
The InChIKey is XNRPSGGJZVOCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N2/c1-6-7-8-10-13(4,5)11-9-12(2)3/h6H,1,7-11H2,2-5H3/q+1.
What are the key properties of 2-(dimethylamino)ethyl-dimethyl-pent-4-enylazanium?
2-(dimethylamino)ethyl-dimethyl-pent-4-enylazanium has a molecular weight of 185.33 g/mol, XLogP of 1.59, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl-dimethyl-pent-4-enylazanium is sourced from PubChem (CID 155589580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).