2-[[tert-butyl-[(methylideneamino)methyl]amino]methylideneamino]prop-2-enylidene-dimethylazanium

C12H23N4+ — CID 123198061

IUPAC2-[[tert-butyl-[(methylideneamino)methyl]amino]methylideneamino]prop-2-enylidene-dimethylazanium
SMILESC=NCN(/C=N/C(=C)C=[N+](C)C)C(C)(C)C
InChIInChI=1S/C12H23N4/c1-11(8-15(6)7)14-10-16(9-13-5)12(2,3)4/h8,10H,1,5,9H2,2-4,6-7H3/q+1/b14-10+
InChIKeyNPRMHNXBWVVWQB-GXDHUFHOSA-N
MW223.34 g/mol
LogP1.63
Rot. Bonds5

About 2-[[tert-butyl-[(methylideneamino)methyl]amino]methylideneamino]prop-2-enylidene-dimethylazanium

2-[[tert-butyl-[(methylideneamino)methyl]amino]methylideneamino]prop-2-enylidene-dimethylazanium (PubChem CID 123198061) has the molecular formula C12H23N4+ and a molecular weight of 223.34 g/mol. Its IUPAC name is 2-[[tert-butyl-[(methylideneamino)methyl]amino]methylideneamino]prop-2-enylidene-dimethylazanium.

Molecular Properties

Compound Name2-[[tert-butyl-[(methylideneamino)methyl]amino]methylideneamino]prop-2-enylidene-dimethylazanium
PubChem CID123198061
Molecular FormulaC12H23N4+
Molecular Weight223.34 g/mol
Exact Mass223.19
IUPAC Name2-[[tert-butyl-[(methylideneamino)methyl]amino]methylideneamino]prop-2-enylidene-dimethylazanium
SMILESC=NCN(/C=N/C(=C)C=[N+](C)C)C(C)(C)C
InChIInChI=1S/C12H23N4/c1-11(8-15(6)7)14-10-16(9-13-5)12(2,3)4/h8,10H,1,5,9H2,2-4,6-7H3/q+1/b14-10+
InChIKeyNPRMHNXBWVVWQB-GXDHUFHOSA-N
XLogP1.63
TPSA30.97 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 51.63
H-Bond Donors ≤ 50
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-(dimethylaminomethylideneamino)prop-2-enylidene]-dimethylazanium
CID 12216197
[3-(Dimethylamino)-2-(dimethylaminomethylideneamino)prop-2-enylidene]-dimethylazanium;methane
CID 160669560

Frequently Asked Questions

What is the IUPAC name of 2-[[tert-butyl-[(methylideneamino)methyl]amino]methylideneamino]prop-2-enylidene-dimethylazanium?
The IUPAC name of 2-[[tert-butyl-[(methylideneamino)methyl]amino]methylideneamino]prop-2-enylidene-dimethylazanium (CID 123198061) is 2-[[tert-butyl-[(methylideneamino)methyl]amino]methylideneamino]prop-2-enylidene-dimethylazanium.
What is the SMILES notation for 2-[[tert-butyl-[(methylideneamino)methyl]amino]methylideneamino]prop-2-enylidene-dimethylazanium?
The canonical SMILES for 2-[[tert-butyl-[(methylideneamino)methyl]amino]methylideneamino]prop-2-enylidene-dimethylazanium is C=NCN(/C=N/C(=C)C=[N+](C)C)C(C)(C)C.
What is the InChIKey of 2-[[tert-butyl-[(methylideneamino)methyl]amino]methylideneamino]prop-2-enylidene-dimethylazanium?
The InChIKey is NPRMHNXBWVVWQB-GXDHUFHOSA-N. The full InChI is InChI=1S/C12H23N4/c1-11(8-15(6)7)14-10-16(9-13-5)12(2,3)4/h8,10H,1,5,9H2,2-4,6-7H3/q+1/b14-10+.
What are the key properties of 2-[[tert-butyl-[(methylideneamino)methyl]amino]methylideneamino]prop-2-enylidene-dimethylazanium?
2-[[tert-butyl-[(methylideneamino)methyl]amino]methylideneamino]prop-2-enylidene-dimethylazanium has a molecular weight of 223.34 g/mol, XLogP of 1.63, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[tert-butyl-[(methylideneamino)methyl]amino]methylideneamino]prop-2-enylidene-dimethylazanium is sourced from PubChem (CID 123198061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).