1-(dimethylamino)ethenyl-methyl-methylideneazanium

C6H13N2+ — CID 90943626

IUPAC1-(dimethylamino)ethenyl-methyl-methylideneazanium
SMILESC=C(N(C)C)[N+](=C)C
InChIInChI=1S/C6H13N2/c1-6(7(2)3)8(4)5/h1-2H2,3-5H3/q+1
InChIKeyHZEMMZXYZUJCEE-UHFFFAOYSA-N
MW113.18 g/mol
LogP0.36
Rot. Bonds2

About 1-(dimethylamino)ethenyl-methyl-methylideneazanium

1-(dimethylamino)ethenyl-methyl-methylideneazanium (PubChem CID 90943626) has the molecular formula C6H13N2+ and a molecular weight of 113.18 g/mol. Its IUPAC name is 1-(dimethylamino)ethenyl-methyl-methylideneazanium.

Molecular Properties

Compound Name1-(dimethylamino)ethenyl-methyl-methylideneazanium
PubChem CID90943626
Molecular FormulaC6H13N2+
Molecular Weight113.18 g/mol
Exact Mass113.11
IUPAC Name1-(dimethylamino)ethenyl-methyl-methylideneazanium
SMILESC=C(N(C)C)[N+](=C)C
InChIInChI=1S/C6H13N2/c1-6(7(2)3)8(4)5/h1-2H2,3-5H3/q+1
InChIKeyHZEMMZXYZUJCEE-UHFFFAOYSA-N
XLogP0.36
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.18
LogP ≤ 50.36
H-Bond Donors ≤ 50
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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Related Compounds

1,1-Ethenediamine, N,N,N',N'-tetramethyl-
CID 136640
1,5-dimethyl-6-methylidene-2H-1,3,5-triazine
CID 89005770
N,N-diethyl-1-(methylideneamino)ethenamine
CID 89625141
1-methyl-3-methylidene-2H-imidazol-3-ium
CID 91015933
(Z)-N,N-dimethyl-1-(methylideneamino)prop-1-en-1-amine
CID 134574399
methane;1-N,1-N,1-N',1-N'-tetramethylethene-1,1-diamine
CID 141954557
1-N,1-N,1-N'-trimethyl-1-N'-[(Z)-2-(methylideneamino)ethenyl]ethene-1,1-diamine
CID 143837593
N-ethenyl-N-methyl-1-(methylideneamino)ethenamine
CID 146509091
N,N-dimethyl-1-(methylideneamino)ethenamine
CID 154151742
1-(Dimethylamino)ethenyl-methylazanide;rhodium
CID 173486763
N-methyl-N-[(methylideneamino)methyl]ethenamine
CID 173744781
1-(Dimethylamino)ethenyl-trimethylazanium
CID 174243276

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)ethenyl-methyl-methylideneazanium?
The IUPAC name of 1-(dimethylamino)ethenyl-methyl-methylideneazanium (CID 90943626) is 1-(dimethylamino)ethenyl-methyl-methylideneazanium.
What is the SMILES notation for 1-(dimethylamino)ethenyl-methyl-methylideneazanium?
The canonical SMILES for 1-(dimethylamino)ethenyl-methyl-methylideneazanium is C=C(N(C)C)[N+](=C)C.
What is the InChIKey of 1-(dimethylamino)ethenyl-methyl-methylideneazanium?
The InChIKey is HZEMMZXYZUJCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N2/c1-6(7(2)3)8(4)5/h1-2H2,3-5H3/q+1.
What are the key properties of 1-(dimethylamino)ethenyl-methyl-methylideneazanium?
1-(dimethylamino)ethenyl-methyl-methylideneazanium has a molecular weight of 113.18 g/mol, XLogP of 0.36, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)ethenyl-methyl-methylideneazanium is sourced from PubChem (CID 90943626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).