trimethyl(5-methylideneheptyl)azanium

C11H24N+ — CID 123308775

IUPACtrimethyl(5-methylideneheptyl)azanium
SMILESC=C(CC)CCCC[N+](C)(C)C
InChIInChI=1S/C11H24N/c1-6-11(2)9-7-8-10-12(3,4)5/h2,6-10H2,1,3-5H3/q+1
InChIKeyNURVHHULILOUGR-UHFFFAOYSA-N
MW170.32 g/mol
LogP2.83
Rot. Bonds6

About trimethyl(5-methylideneheptyl)azanium

trimethyl(5-methylideneheptyl)azanium (PubChem CID 123308775) has the molecular formula C11H24N+ and a molecular weight of 170.32 g/mol. Its IUPAC name is trimethyl(5-methylideneheptyl)azanium.

Molecular Properties

Compound Nametrimethyl(5-methylideneheptyl)azanium
PubChem CID123308775
Molecular FormulaC11H24N+
Molecular Weight170.32 g/mol
Exact Mass170.19
IUPAC Nametrimethyl(5-methylideneheptyl)azanium
SMILESC=C(CC)CCCC[N+](C)(C)C
InChIInChI=1S/C11H24N/c1-6-11(2)9-7-8-10-12(3,4)5/h2,6-10H2,1,3-5H3/q+1
InChIKeyNURVHHULILOUGR-UHFFFAOYSA-N
XLogP2.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.32
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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'}

Analyze trimethyl(5-methylideneheptyl)azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,8,15,20-tetramethylidenedocosane
CID 176610318
3-methylidenedecane
CID 21453024
3,8-dimethylidenetetradecane
CID 173410299
trimethyl-(6-methyl-5-oxohept-6-enyl)azanium chloride
CID 159451714
18-methylideneicosanoic acid
CID 154487805
trimethyl-[20-(trimethylazaniumyl)icosyl]azanium
CID 10318705
trimethyl-[4-(trimethylazaniumyl)butyl]azanium dihydroxide
CID 12712148
butane;3,8-dimethylideneundecane;pentane;propane
CID 143697639
5-methylidene-N-propylheptan-1-amine
CID 66039759
6-carboxyhexyl(trimethyl)azanium
CID 70691026
trimethyl-[5-(trimethylazaniumyl)pentyl]azanium diiodide
CID 21353
tetrakis(trimethyl-[10-(trimethylazaniumyl)decyl]azanium);octaiodide
CID 173060606

Frequently Asked Questions

What is the IUPAC name of trimethyl(5-methylideneheptyl)azanium?
The IUPAC name of trimethyl(5-methylideneheptyl)azanium (CID 123308775) is trimethyl(5-methylideneheptyl)azanium.
What is the SMILES notation for trimethyl(5-methylideneheptyl)azanium?
The canonical SMILES for trimethyl(5-methylideneheptyl)azanium is C=C(CC)CCCC[N+](C)(C)C.
What is the InChIKey of trimethyl(5-methylideneheptyl)azanium?
The InChIKey is NURVHHULILOUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N/c1-6-11(2)9-7-8-10-12(3,4)5/h2,6-10H2,1,3-5H3/q+1.
What are the key properties of trimethyl(5-methylideneheptyl)azanium?
trimethyl(5-methylideneheptyl)azanium has a molecular weight of 170.32 g/mol, XLogP of 2.83, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(5-methylideneheptyl)azanium is sourced from PubChem (CID 123308775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).