[[(Z)-1-(dimethylamino)-3-methyliminoprop-1-en-2-yl]amino]methylidene-dimethylazanium

C9H19N4+ — CID 90850662

IUPAC[[(Z)-1-(dimethylamino)-3-methyliminoprop-1-en-2-yl]amino]methylidene-dimethylazanium
SMILESC/N=C/C(=C/N(C)C)NC=[N+](C)C
InChIInChI=1S/C9H18N4/c1-10-6-9(7-12(2)3)11-8-13(4)5/h6-8H,1-5H3/p+1/b9-7-,10-6+
InChIKeyMFHJDTAVTHZMGC-ODUODFHUSA-O
MW183.28 g/mol
LogP-0.02
Rot. Bonds4

About [[(Z)-1-(dimethylamino)-3-methyliminoprop-1-en-2-yl]amino]methylidene-dimethylazanium

[[(Z)-1-(dimethylamino)-3-methyliminoprop-1-en-2-yl]amino]methylidene-dimethylazanium (PubChem CID 90850662) has the molecular formula C9H19N4+ and a molecular weight of 183.28 g/mol. Its IUPAC name is [[(Z)-1-(dimethylamino)-3-methyliminoprop-1-en-2-yl]amino]methylidene-dimethylazanium.

Molecular Properties

Compound Name[[(Z)-1-(dimethylamino)-3-methyliminoprop-1-en-2-yl]amino]methylidene-dimethylazanium
PubChem CID90850662
Molecular FormulaC9H19N4+
Molecular Weight183.28 g/mol
Exact Mass183.16
IUPAC Name[[(Z)-1-(dimethylamino)-3-methyliminoprop-1-en-2-yl]amino]methylidene-dimethylazanium
SMILESC/N=C/C(=C/N(C)C)NC=[N+](C)C
InChIInChI=1S/C9H18N4/c1-10-6-9(7-12(2)3)11-8-13(4)5/h6-8H,1-5H3/p+1/b9-7-,10-6+
InChIKeyMFHJDTAVTHZMGC-ODUODFHUSA-O
XLogP-0.02
TPSA30.64 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

[(E)-3-(dimethylamino)-2-(dimethylaminomethylideneamino)prop-2-enylidene]-dimethylazanium
CID 10803918
[3-(Dimethylamino)-2-(dimethylaminomethylideneamino)prop-2-enylidene]-dimethylazanium
CID 57359127
[(Z)-3-(dimethylamino)-2-(dimethylazaniumylidenemethylamino)prop-2-enylidene]-dimethylazanium
CID 2724950
[(Z)-3-(dimethylamino)-2-(dimethylaminomethylideneamino)prop-2-enylidene]-dimethylazanium
CID 12216197
1,3,5-trimethyl-1H-imidazole-1,3-diium
CID 58187923
[3-(Dimethylamino)-2-(dimethylazaniumylidenemethylamino)prop-2-enylidene]-dimethylazanium
CID 78291301
N'-methyl-N-[(E)-1-(methyliminomethylamino)prop-1-en-2-yl]methanimidamide
CID 90453085
N-but-2-en-2-yl-N'-[(2Z)-2-(ethylidenehydrazinylidene)ethyl]methanimidamide
CID 123751085
N'-[(Z)-2-aminoethenyl]-N-[(prop-1-en-2-ylamino)methylidene]methanimidamide
CID 141768011
[(E)-2-(dimethylazaniumylidenemethylamino)-3-(methylamino)prop-2-enylidene]-dimethylazanium
CID 143740484
[(Z)-3-(dimethylamino)-2-(dimethylazaniumylidenemethylamino)prop-2-enylidene]-dimethylazanium;ethane
CID 143740498
N-methyl-N-[1-(methylamino)ethyl]-N'-prop-1-en-2-ylmethanimidamide
CID 155310279

Frequently Asked Questions

What is the IUPAC name of [[(Z)-1-(dimethylamino)-3-methyliminoprop-1-en-2-yl]amino]methylidene-dimethylazanium?
The IUPAC name of [[(Z)-1-(dimethylamino)-3-methyliminoprop-1-en-2-yl]amino]methylidene-dimethylazanium (CID 90850662) is [[(Z)-1-(dimethylamino)-3-methyliminoprop-1-en-2-yl]amino]methylidene-dimethylazanium.
What is the SMILES notation for [[(Z)-1-(dimethylamino)-3-methyliminoprop-1-en-2-yl]amino]methylidene-dimethylazanium?
The canonical SMILES for [[(Z)-1-(dimethylamino)-3-methyliminoprop-1-en-2-yl]amino]methylidene-dimethylazanium is C/N=C/C(=C/N(C)C)NC=[N+](C)C.
What is the InChIKey of [[(Z)-1-(dimethylamino)-3-methyliminoprop-1-en-2-yl]amino]methylidene-dimethylazanium?
The InChIKey is MFHJDTAVTHZMGC-ODUODFHUSA-O. The full InChI is InChI=1S/C9H18N4/c1-10-6-9(7-12(2)3)11-8-13(4)5/h6-8H,1-5H3/p+1/b9-7-,10-6+.
What are the key properties of [[(Z)-1-(dimethylamino)-3-methyliminoprop-1-en-2-yl]amino]methylidene-dimethylazanium?
[[(Z)-1-(dimethylamino)-3-methyliminoprop-1-en-2-yl]amino]methylidene-dimethylazanium has a molecular weight of 183.28 g/mol, XLogP of -0.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [[(Z)-1-(dimethylamino)-3-methyliminoprop-1-en-2-yl]amino]methylidene-dimethylazanium is sourced from PubChem (CID 90850662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).