5,5-dimethylnon-1-en-4-yl-methyl-propylideneazanium

C15H30N+ — CID 90881599

IUPAC5,5-dimethylnon-1-en-4-yl-methyl-propylideneazanium
SMILESC=CCC(/[N+](C)=C/CC)C(C)(C)CCCC
InChIInChI=1S/C15H30N/c1-7-10-12-15(4,5)14(11-8-2)16(6)13-9-3/h8,13-14H,2,7,9-12H2,1,3-6H3/q+1/b16-13+
InChIKeyPZXFWHRYQOMLDM-DTQAZKPQSA-N
MW224.41 g/mol
LogP4.27
Rot. Bonds8

About 5,5-dimethylnon-1-en-4-yl-methyl-propylideneazanium

5,5-dimethylnon-1-en-4-yl-methyl-propylideneazanium (PubChem CID 90881599) has the molecular formula C15H30N+ and a molecular weight of 224.41 g/mol. Its IUPAC name is 5,5-dimethylnon-1-en-4-yl-methyl-propylideneazanium.

Molecular Properties

Compound Name5,5-dimethylnon-1-en-4-yl-methyl-propylideneazanium
PubChem CID90881599
Molecular FormulaC15H30N+
Molecular Weight224.41 g/mol
Exact Mass224.24
IUPAC Name5,5-dimethylnon-1-en-4-yl-methyl-propylideneazanium
SMILESC=CCC(/[N+](C)=C/CC)C(C)(C)CCCC
InChIInChI=1S/C15H30N/c1-7-10-12-15(4,5)14(11-8-2)16(6)13-9-3/h8,13-14H,2,7,9-12H2,1,3-6H3/q+1/b16-13+
InChIKeyPZXFWHRYQOMLDM-DTQAZKPQSA-N
XLogP4.27
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.41
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 5,5-dimethylnon-1-en-4-yl-methyl-propylideneazanium 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

2-Methyl-2-azoniaspiro[5.5]undeca-1,10-diene
CID 20403156
2-(3,3-Dimethylpentyl)-1-azacyclododeca-4,8,12-triene
CID 70585406
N-(6,6-dimethyloct-1-en-3-yl)-2-methylpropan-1-imine
CID 163918788

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethylnon-1-en-4-yl-methyl-propylideneazanium?
The IUPAC name of 5,5-dimethylnon-1-en-4-yl-methyl-propylideneazanium (CID 90881599) is 5,5-dimethylnon-1-en-4-yl-methyl-propylideneazanium.
What is the SMILES notation for 5,5-dimethylnon-1-en-4-yl-methyl-propylideneazanium?
The canonical SMILES for 5,5-dimethylnon-1-en-4-yl-methyl-propylideneazanium is C=CCC(/[N+](C)=C/CC)C(C)(C)CCCC.
What is the InChIKey of 5,5-dimethylnon-1-en-4-yl-methyl-propylideneazanium?
The InChIKey is PZXFWHRYQOMLDM-DTQAZKPQSA-N. The full InChI is InChI=1S/C15H30N/c1-7-10-12-15(4,5)14(11-8-2)16(6)13-9-3/h8,13-14H,2,7,9-12H2,1,3-6H3/q+1/b16-13+.
What are the key properties of 5,5-dimethylnon-1-en-4-yl-methyl-propylideneazanium?
5,5-dimethylnon-1-en-4-yl-methyl-propylideneazanium has a molecular weight of 224.41 g/mol, XLogP of 4.27, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethylnon-1-en-4-yl-methyl-propylideneazanium is sourced from PubChem (CID 90881599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).