methyl-(methyliminomethyl)-prop-2-enylideneazanium

C6H11N2+ — CID 123825466

IUPACmethyl-(methyliminomethyl)-prop-2-enylideneazanium
SMILESC=C/C=[N+](C)/C=N/C
InChIInChI=1S/C6H11N2/c1-4-5-8(3)6-7-2/h4-6H,1H2,2-3H3/q+1/b7-6+,8-5+
InChIKeyBYTKWOCPRUYZDZ-ZCOYIIAOSA-N
MW111.17 g/mol
LogP0.54
Rot. Bonds2

About methyl-(methyliminomethyl)-prop-2-enylideneazanium

methyl-(methyliminomethyl)-prop-2-enylideneazanium (PubChem CID 123825466) has the molecular formula C6H11N2+ and a molecular weight of 111.17 g/mol. Its IUPAC name is methyl-(methyliminomethyl)-prop-2-enylideneazanium.

Molecular Properties

Compound Namemethyl-(methyliminomethyl)-prop-2-enylideneazanium
PubChem CID123825466
Molecular FormulaC6H11N2+
Molecular Weight111.17 g/mol
Exact Mass111.09
IUPAC Namemethyl-(methyliminomethyl)-prop-2-enylideneazanium
SMILESC=C/C=[N+](C)/C=N/C
InChIInChI=1S/C6H11N2/c1-4-5-8(3)6-7-2/h4-6H,1H2,2-3H3/q+1/b7-6+,8-5+
InChIKeyBYTKWOCPRUYZDZ-ZCOYIIAOSA-N
XLogP0.54
TPSA15.37 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.17
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

N-(1-Methyl-2(1H)-pyrimidinylidene)methanamine
CID 21719087
Pyrimidine, 2-ethylimino-1,2-dihydro-1-methyl-
CID 89030559
N,N-Dimethylprop-2-en-1-iminium
CID 18720254
N,N-dimethyl-1-(pyrrol-2-ylideneamino)methanamine
CID 57267648
N,N-dimethyl-N'-prop-2-enylethanimidamide
CID 85541336
N,N-dimethyl-N'-prop-2-enylmethanimidamide
CID 85868011
N-ethylidene-N'-prop-2-enylmethanimidamide
CID 88952463
N'-ethyl-N-prop-2-enylidenemethanimidamide
CID 89196565
N'-methyl-N-prop-2-enylideneethanimidamide
CID 89331290
N'-propan-2-yl-N-prop-2-enylidenemethanimidamide
CID 89423961
Metformin Impurity 61
CID 89899673
N-[(Z)-but-2-enylidene]-N'-methylmethanimidamide
CID 117620451

Frequently Asked Questions

What is the IUPAC name of methyl-(methyliminomethyl)-prop-2-enylideneazanium?
The IUPAC name of methyl-(methyliminomethyl)-prop-2-enylideneazanium (CID 123825466) is methyl-(methyliminomethyl)-prop-2-enylideneazanium.
What is the SMILES notation for methyl-(methyliminomethyl)-prop-2-enylideneazanium?
The canonical SMILES for methyl-(methyliminomethyl)-prop-2-enylideneazanium is C=C/C=[N+](C)/C=N/C.
What is the InChIKey of methyl-(methyliminomethyl)-prop-2-enylideneazanium?
The InChIKey is BYTKWOCPRUYZDZ-ZCOYIIAOSA-N. The full InChI is InChI=1S/C6H11N2/c1-4-5-8(3)6-7-2/h4-6H,1H2,2-3H3/q+1/b7-6+,8-5+.
What are the key properties of methyl-(methyliminomethyl)-prop-2-enylideneazanium?
methyl-(methyliminomethyl)-prop-2-enylideneazanium has a molecular weight of 111.17 g/mol, XLogP of 0.54, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(methyliminomethyl)-prop-2-enylideneazanium is sourced from PubChem (CID 123825466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).