methyl-[3-(methylamino)prop-2-enylidene]azanium chloride

C5H11ClN2 — CID 88785943

IUPACmethyl-[3-(methylamino)prop-2-enylidene]azanium chloride
SMILESCNC=C/C=[NH+]/C.[Cl-]
InChIInChI=1S/C5H10N2.ClH/c1-6-4-3-5-7-2;/h3-6H,1-2H3;1H/b4-3?,7-5+;
InChIKeyRNGXPWPCLLAVNL-XZELDJHOSA-N
MW134.61 g/mol
LogP-4.50
Rot. Bonds2

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

methyl-[3-(methylamino)prop-2-enylidene]azanium chloride (PubChem CID 88785943) has the molecular formula C5H11ClN2 and a molecular weight of 134.61 g/mol. Its IUPAC name is methyl-[3-(methylamino)prop-2-enylidene]azanium chloride.

Molecular Properties

Compound Namemethyl-[3-(methylamino)prop-2-enylidene]azanium chloride
PubChem CID88785943
Molecular FormulaC5H11ClN2
Molecular Weight134.61 g/mol
Exact Mass134.06
IUPAC Namemethyl-[3-(methylamino)prop-2-enylidene]azanium chloride
SMILESCNC=C/C=[NH+]/C.[Cl-]
InChIInChI=1S/C5H10N2.ClH/c1-6-4-3-5-7-2;/h3-6H,1-2H3;1H/b4-3?,7-5+;
InChIKeyRNGXPWPCLLAVNL-XZELDJHOSA-N
XLogP-4.50
TPSA26.00 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.61
LogP ≤ 5-4.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Dihydropyrimidine
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2,3-Dihydro-1H-1,4-diazepine
CID 12462155
Pyrimidine, 1,2-dihydro-2-methylene-(9CI)
CID 21458438
Hydro-1,4-diazepine hydrochloride
CID 22390470
Dihydropyrimidine hydrochloride
CID 91884946
N-methyl-2-aminopyrimidine
CID 121273779
1H-pyrimidiniumchloride
CID 129648134
1,5-Diazepinium chloride
CID 129794428
(E)-1-fluoro-N-methyl-3-methyliminoprop-1-en-1-amine
CID 129103276
(1E)-1-fluoro-N-[(Z)-3-methyliminoprop-1-enyl]penta-1,4-dien-1-amine
CID 130181904

Frequently Asked Questions

What is the IUPAC name of methyl-[3-(methylamino)prop-2-enylidene]azanium chloride?
The IUPAC name of methyl-[3-(methylamino)prop-2-enylidene]azanium chloride (CID 88785943) is methyl-[3-(methylamino)prop-2-enylidene]azanium chloride.
What is the SMILES notation for methyl-[3-(methylamino)prop-2-enylidene]azanium chloride?
The canonical SMILES for methyl-[3-(methylamino)prop-2-enylidene]azanium chloride is CNC=C/C=[NH+]/C.[Cl-].
What is the InChIKey of methyl-[3-(methylamino)prop-2-enylidene]azanium chloride?
The InChIKey is RNGXPWPCLLAVNL-XZELDJHOSA-N. The full InChI is InChI=1S/C5H10N2.ClH/c1-6-4-3-5-7-2;/h3-6H,1-2H3;1H/b4-3?,7-5+;.
What are the key properties of methyl-[3-(methylamino)prop-2-enylidene]azanium chloride?
methyl-[3-(methylamino)prop-2-enylidene]azanium chloride has a molecular weight of 134.61 g/mol, XLogP of -4.50, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[3-(methylamino)prop-2-enylidene]azanium chloride is sourced from PubChem (CID 88785943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).