methylaminomethylidene(prop-2-enylidene)azanium

C5H9N2+ — CID 174094655

IUPACmethylaminomethylidene(prop-2-enylidene)azanium
SMILESC=CC=[N+]=CNC
InChIInChI=1S/C5H8N2/c1-3-4-7-5-6-2/h3-5H,1H2,2H3/p+1
InChIKeyFMAYBGUVVRNKBR-UHFFFAOYSA-O
MW97.14 g/mol
LogP-0.44
Rot. Bonds2

About methylaminomethylidene(prop-2-enylidene)azanium

methylaminomethylidene(prop-2-enylidene)azanium (PubChem CID 174094655) has the molecular formula C5H9N2+ and a molecular weight of 97.14 g/mol. Its IUPAC name is methylaminomethylidene(prop-2-enylidene)azanium.

Molecular Properties

Compound Namemethylaminomethylidene(prop-2-enylidene)azanium
PubChem CID174094655
Molecular FormulaC5H9N2+
Molecular Weight97.14 g/mol
Exact Mass97.08
IUPAC Namemethylaminomethylidene(prop-2-enylidene)azanium
SMILESC=CC=[N+]=CNC
InChIInChI=1S/C5H8N2/c1-3-4-7-5-6-2/h3-5H,1H2,2H3/p+1
InChIKeyFMAYBGUVVRNKBR-UHFFFAOYSA-O
XLogP-0.44
TPSA26.13 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.14
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

ethane;N-methylethenamine
CID 143349321
(4Z)-N-methyl-3-methylidene-4-prop-2-enylidenecyclopentan-1-amine
CID 143992875
(E)-but-2-ene;N-methylethenamine
CID 142150509
N-methyldeca-1,3,5,7,9-pentaen-1-amine
CID 59952276
3-methoxy-2-methyl-2-N-prop-2-enylpropane-1,2-diamine
CID 65384509
iron;N-methylprop-2-en-1-amine
CID 175581190
ethane-1,2-diol;N-methylethenamine
CID 88730727
buta-1,3-diene;ethane;N-methylmethanamine;2-methylprop-1-ene
CID 145396267
2-methylhepta-4,6-dien-2-ol
CID 54228855
(1Z,3Z)-N,2-dimethylhexa-1,3,5-trien-1-amine
CID 126689878
ethane;N-methylethenamine;methylsulfanylethene
CID 142827366
buta-1,3-diene
CID 7845

Frequently Asked Questions

What is the IUPAC name of methylaminomethylidene(prop-2-enylidene)azanium?
The IUPAC name of methylaminomethylidene(prop-2-enylidene)azanium (CID 174094655) is methylaminomethylidene(prop-2-enylidene)azanium.
What is the SMILES notation for methylaminomethylidene(prop-2-enylidene)azanium?
The canonical SMILES for methylaminomethylidene(prop-2-enylidene)azanium is C=CC=[N+]=CNC.
What is the InChIKey of methylaminomethylidene(prop-2-enylidene)azanium?
The InChIKey is FMAYBGUVVRNKBR-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H8N2/c1-3-4-7-5-6-2/h3-5H,1H2,2H3/p+1.
What are the key properties of methylaminomethylidene(prop-2-enylidene)azanium?
methylaminomethylidene(prop-2-enylidene)azanium has a molecular weight of 97.14 g/mol, XLogP of -0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methylaminomethylidene(prop-2-enylidene)azanium is sourced from PubChem (CID 174094655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).