dimethyl-[3-(methylamino)prop-2-enylidene]azanium

C6H13N2+ — CID 72542337

IUPACdimethyl-[3-(methylamino)prop-2-enylidene]azanium
SMILESCNC=CC=[N+](C)C
InChIInChI=1S/C6H12N2/c1-7-5-4-6-8(2)3/h4-6H,1-3H3/p+1
InChIKeyYPYGBSZABQZUQA-UHFFFAOYSA-O
MW113.18 g/mol
LogP0.06
Rot. Bonds2

About dimethyl-[3-(methylamino)prop-2-enylidene]azanium

dimethyl-[3-(methylamino)prop-2-enylidene]azanium (PubChem CID 72542337) has the molecular formula C6H13N2+ and a molecular weight of 113.18 g/mol. Its IUPAC name is dimethyl-[3-(methylamino)prop-2-enylidene]azanium.

Molecular Properties

Compound Namedimethyl-[3-(methylamino)prop-2-enylidene]azanium
PubChem CID72542337
Molecular FormulaC6H13N2+
Molecular Weight113.18 g/mol
Exact Mass113.11
IUPAC Namedimethyl-[3-(methylamino)prop-2-enylidene]azanium
SMILESCNC=CC=[N+](C)C
InChIInChI=1S/C6H12N2/c1-7-5-4-6-8(2)3/h4-6H,1-3H3/p+1
InChIKeyYPYGBSZABQZUQA-UHFFFAOYSA-O
XLogP0.06
TPSA15.04 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.18
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethyl-[3-(methylamino)prop-2-enylidene]azanium?
The IUPAC name of dimethyl-[3-(methylamino)prop-2-enylidene]azanium (CID 72542337) is dimethyl-[3-(methylamino)prop-2-enylidene]azanium.
What is the SMILES notation for dimethyl-[3-(methylamino)prop-2-enylidene]azanium?
The canonical SMILES for dimethyl-[3-(methylamino)prop-2-enylidene]azanium is CNC=CC=[N+](C)C.
What is the InChIKey of dimethyl-[3-(methylamino)prop-2-enylidene]azanium?
The InChIKey is YPYGBSZABQZUQA-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H12N2/c1-7-5-4-6-8(2)3/h4-6H,1-3H3/p+1.
What are the key properties of dimethyl-[3-(methylamino)prop-2-enylidene]azanium?
dimethyl-[3-(methylamino)prop-2-enylidene]azanium has a molecular weight of 113.18 g/mol, XLogP of 0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[3-(methylamino)prop-2-enylidene]azanium is sourced from PubChem (CID 72542337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).