methyl-methylidene-(3-methylpentyl)azanium

C8H18N+ — CID 123886397

IUPACmethyl-methylidene-(3-methylpentyl)azanium
SMILESC=[N+](C)CCC(C)CC
InChIInChI=1S/C8H18N/c1-5-8(2)6-7-9(3)4/h8H,3,5-7H2,1-2,4H3/q+1
InChIKeyLOJIYTOEMMYBBD-UHFFFAOYSA-N
MW128.24 g/mol
LogP1.77
Rot. Bonds4

About methyl-methylidene-(3-methylpentyl)azanium

methyl-methylidene-(3-methylpentyl)azanium (PubChem CID 123886397) has the molecular formula C8H18N+ and a molecular weight of 128.24 g/mol. Its IUPAC name is methyl-methylidene-(3-methylpentyl)azanium.

Molecular Properties

Compound Namemethyl-methylidene-(3-methylpentyl)azanium
PubChem CID123886397
Molecular FormulaC8H18N+
Molecular Weight128.24 g/mol
Exact Mass128.14
IUPAC Namemethyl-methylidene-(3-methylpentyl)azanium
SMILESC=[N+](C)CCC(C)CC
InChIInChI=1S/C8H18N/c1-5-8(2)6-7-9(3)4/h8H,3,5-7H2,1-2,4H3/q+1
InChIKeyLOJIYTOEMMYBBD-UHFFFAOYSA-N
XLogP1.77
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.24
LogP ≤ 51.77
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'}

Analyze methyl-methylidene-(3-methylpentyl)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

ethyl-imino-(3-methylpentyl)azanium
CID 123384930
4-methylhexyl-methylidene-prop-1-en-2-ylazanium
CID 174272799
3-methylpentane;propane
CID 123266773
2,5-dimethylheptane;propane
CID 145235091
(3R,7R)-3,7-dimethylnonane
CID 42626759
ethane;ethene;methane;3-methylpentane;propane
CID 144518187
3-methylhexane;2-methylprop-1-ene
CID 165405684
(3R,6R)-3,6-dimethylnonane
CID 170848352
ethane;3,6,7,10-tetramethyldodecane
CID 143901344
[(2R)-butan-2-yl]-methyl-methylideneazanium
CID 148928636
methane;3-methylpentane
CID 157218592
3-methylpentane;hydrate
CID 144914279

Frequently Asked Questions

What is the IUPAC name of methyl-methylidene-(3-methylpentyl)azanium?
The IUPAC name of methyl-methylidene-(3-methylpentyl)azanium (CID 123886397) is methyl-methylidene-(3-methylpentyl)azanium.
What is the SMILES notation for methyl-methylidene-(3-methylpentyl)azanium?
The canonical SMILES for methyl-methylidene-(3-methylpentyl)azanium is C=[N+](C)CCC(C)CC.
What is the InChIKey of methyl-methylidene-(3-methylpentyl)azanium?
The InChIKey is LOJIYTOEMMYBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N/c1-5-8(2)6-7-9(3)4/h8H,3,5-7H2,1-2,4H3/q+1.
What are the key properties of methyl-methylidene-(3-methylpentyl)azanium?
methyl-methylidene-(3-methylpentyl)azanium has a molecular weight of 128.24 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-methylidene-(3-methylpentyl)azanium is sourced from PubChem (CID 123886397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).