ethylideneazanium;methane;prop-1-ene

C13H44N+ — CID 158715679

IUPACethylideneazanium;methane;prop-1-ene
SMILESC.C.C.C.C.C.C.C.C=CC.CC=[NH2+]
InChIInChI=1S/C3H6.C2H5N.8CH4/c1-3-2;1-2-3;;;;;;;;/h3H,1H2,2H3;2-3H,1H3;8*1H4/p+1
InChIKeyIJGWVIWYMHVNQY-UHFFFAOYSA-O
MW214.50 g/mol
LogP5.12
Rot. Bonds

About ethylideneazanium;methane;prop-1-ene

ethylideneazanium;methane;prop-1-ene (PubChem CID 158715679) has the molecular formula C13H44N+ and a molecular weight of 214.50 g/mol. Its IUPAC name is ethylideneazanium;methane;prop-1-ene.

Molecular Properties

Compound Nameethylideneazanium;methane;prop-1-ene
PubChem CID158715679
Molecular FormulaC13H44N+
Molecular Weight214.50 g/mol
Exact Mass214.35
IUPAC Nameethylideneazanium;methane;prop-1-ene
SMILESC.C.C.C.C.C.C.C.C=CC.CC=[NH2+]
InChIInChI=1S/C3H6.C2H5N.8CH4/c1-3-2;1-2-3;;;;;;;;/h3H,1H2,2H3;2-3H,1H3;8*1H4/p+1
InChIKeyIJGWVIWYMHVNQY-UHFFFAOYSA-O
XLogP5.12
TPSA25.59 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500214.50
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze ethylideneazanium;methane;prop-1-ene 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

ethane;methane;bis(prop-1-ene)
CID 159459488
methane;prop-1-ene;sulfane
CID 20979358
prop-1-ene
CID 162178440
azane;tris(prop-1-ene)
CID 173323353
ethene;tetrakis(prop-1-ene)
CID 158667737
λ2-plumbane;prop-1-ene
CID 173103273
ethane;tetrakis(prop-1-ene)
CID 90918926
azane;tris(prop-1-ene)
CID 162019717
ethane;bis(prop-1-ene)
CID 91426438
bis(prop-1-ene);hydrate
CID 21257591
prop-1-ene;hydrochloride
CID 19097823
buta-1,3-diene;ethane;methane;prop-1-ene
CID 142056054

Frequently Asked Questions

What is the IUPAC name of ethylideneazanium;methane;prop-1-ene?
The IUPAC name of ethylideneazanium;methane;prop-1-ene (CID 158715679) is ethylideneazanium;methane;prop-1-ene.
What is the SMILES notation for ethylideneazanium;methane;prop-1-ene?
The canonical SMILES for ethylideneazanium;methane;prop-1-ene is C.C.C.C.C.C.C.C.C=CC.CC=[NH2+].
What is the InChIKey of ethylideneazanium;methane;prop-1-ene?
The InChIKey is IJGWVIWYMHVNQY-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H6.C2H5N.8CH4/c1-3-2;1-2-3;;;;;;;;/h3H,1H2,2H3;2-3H,1H3;8*1H4/p+1.
What are the key properties of ethylideneazanium;methane;prop-1-ene?
ethylideneazanium;methane;prop-1-ene has a molecular weight of 214.50 g/mol, XLogP of 5.12, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethylideneazanium;methane;prop-1-ene is sourced from PubChem (CID 158715679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).