[4-(1-aminoethenyliminomethyl)-3-methylpenta-2,4-dienylidene]-dimethylazanium

C11H18N3+ — CID 123599154

IUPAC[4-(1-aminoethenyliminomethyl)-3-methylpenta-2,4-dienylidene]-dimethylazanium
SMILESC=C(N)N=CC(=C)C(C)=CC=[N+](C)C
InChIInChI=1S/C11H18N3/c1-9(6-7-14(4)5)10(2)8-13-11(3)12/h6-8H,2-3,12H2,1,4-5H3/q+1
InChIKeyDYHIRLBWSGNRSL-UHFFFAOYSA-N
MW192.29 g/mol
LogP1.33
Rot. Bonds4

About [4-(1-aminoethenyliminomethyl)-3-methylpenta-2,4-dienylidene]-dimethylazanium

[4-(1-aminoethenyliminomethyl)-3-methylpenta-2,4-dienylidene]-dimethylazanium (PubChem CID 123599154) has the molecular formula C11H18N3+ and a molecular weight of 192.29 g/mol. Its IUPAC name is [4-(1-aminoethenyliminomethyl)-3-methylpenta-2,4-dienylidene]-dimethylazanium.

Molecular Properties

Compound Name[4-(1-aminoethenyliminomethyl)-3-methylpenta-2,4-dienylidene]-dimethylazanium
PubChem CID123599154
Molecular FormulaC11H18N3+
Molecular Weight192.29 g/mol
Exact Mass192.15
IUPAC Name[4-(1-aminoethenyliminomethyl)-3-methylpenta-2,4-dienylidene]-dimethylazanium
SMILESC=C(N)N=CC(=C)C(C)=CC=[N+](C)C
InChIInChI=1S/C11H18N3/c1-9(6-7-14(4)5)10(2)8-13-11(3)12/h6-8H,2-3,12H2,1,4-5H3/q+1
InChIKeyDYHIRLBWSGNRSL-UHFFFAOYSA-N
XLogP1.33
TPSA41.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.29
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(2E)-3,7-dimethyl-9-(methylamino)nona-2,4,6,8-tetraenylidene]-methylazanium
CID 54465705
Methyl-[5-methyl-9-(methylamino)nona-2,4,6,8-tetraenylidene]azanium
CID 59937465
N,5-dimethyl-9-methyliminonona-1,3,5,7-tetraen-1-amine
CID 59937466
[4,5-Dimethyl-9-(methylamino)nona-2,4,6,8-tetraenylidene]-methylazanium
CID 59962901
(1E,3E,5E,7E)-N,4,5,6-tetramethyl-9-methyliminonona-1,3,5,7-tetraen-1-amine
CID 89254812
4,5-Dimethylhexa-3,5-dienylidene(dimethyl)azanium
CID 123767520
1-[2-(1-methyl-2H-pyrrol-1-ium-3-yl)but-2-enylideneamino]ethenamine
CID 123784576
(1Z,3Z)-1-[(Z)-ethylideneamino]-2-prop-1-en-2-ylpenta-1,3-dien-1-amine
CID 129312448
ethane;(2E)-4-methyl-3-N-methylidenepenta-2,4-diene-1,3-diimine
CID 141881052
N,N'-dimethyl-N'-[1-[(Z)-[(E)-3-methyl-2-methylidenepent-3-enylidene]amino]ethenyl]ethane-1,2-diamine;ethane
CID 142170699
(E)-1-[[(2E,4E)-4-ethenyl-6-iminohexa-2,4-dienylidene]amino]-N,N-dimethylprop-1-en-2-amine
CID 143271835
(1E,3Z)-N,2-dimethyl-1-[(Z)-propylideneamino]hexa-1,3-dien-1-amine
CID 143838514

Frequently Asked Questions

What is the IUPAC name of [4-(1-aminoethenyliminomethyl)-3-methylpenta-2,4-dienylidene]-dimethylazanium?
The IUPAC name of [4-(1-aminoethenyliminomethyl)-3-methylpenta-2,4-dienylidene]-dimethylazanium (CID 123599154) is [4-(1-aminoethenyliminomethyl)-3-methylpenta-2,4-dienylidene]-dimethylazanium.
What is the SMILES notation for [4-(1-aminoethenyliminomethyl)-3-methylpenta-2,4-dienylidene]-dimethylazanium?
The canonical SMILES for [4-(1-aminoethenyliminomethyl)-3-methylpenta-2,4-dienylidene]-dimethylazanium is C=C(N)N=CC(=C)C(C)=CC=[N+](C)C.
What is the InChIKey of [4-(1-aminoethenyliminomethyl)-3-methylpenta-2,4-dienylidene]-dimethylazanium?
The InChIKey is DYHIRLBWSGNRSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N3/c1-9(6-7-14(4)5)10(2)8-13-11(3)12/h6-8H,2-3,12H2,1,4-5H3/q+1.
What are the key properties of [4-(1-aminoethenyliminomethyl)-3-methylpenta-2,4-dienylidene]-dimethylazanium?
[4-(1-aminoethenyliminomethyl)-3-methylpenta-2,4-dienylidene]-dimethylazanium has a molecular weight of 192.29 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-aminoethenyliminomethyl)-3-methylpenta-2,4-dienylidene]-dimethylazanium is sourced from PubChem (CID 123599154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).