dimethyl-[5-methyl-4-(methylamino)hepta-2,4-dienylidene]azanium

C11H21N2+ — CID 123297385

IUPACdimethyl-[5-methyl-4-(methylamino)hepta-2,4-dienylidene]azanium
SMILESCCC(C)=C(C=CC=[N+](C)C)NC
InChIInChI=1S/C11H21N2/c1-6-10(2)11(12-3)8-7-9-13(4)5/h7-9,12H,6H2,1-5H3/q+1
InChIKeyUILAWVPFUVWGFZ-UHFFFAOYSA-N
MW181.30 g/mol
LogP1.79
Rot. Bonds4

About dimethyl-[5-methyl-4-(methylamino)hepta-2,4-dienylidene]azanium

dimethyl-[5-methyl-4-(methylamino)hepta-2,4-dienylidene]azanium (PubChem CID 123297385) has the molecular formula C11H21N2+ and a molecular weight of 181.30 g/mol. Its IUPAC name is dimethyl-[5-methyl-4-(methylamino)hepta-2,4-dienylidene]azanium.

Molecular Properties

Compound Namedimethyl-[5-methyl-4-(methylamino)hepta-2,4-dienylidene]azanium
PubChem CID123297385
Molecular FormulaC11H21N2+
Molecular Weight181.30 g/mol
Exact Mass181.17
IUPAC Namedimethyl-[5-methyl-4-(methylamino)hepta-2,4-dienylidene]azanium
SMILESCCC(C)=C(C=CC=[N+](C)C)NC
InChIInChI=1S/C11H21N2/c1-6-10(2)11(12-3)8-7-9-13(4)5/h7-9,12H,6H2,1-5H3/q+1
InChIKeyUILAWVPFUVWGFZ-UHFFFAOYSA-N
XLogP1.79
TPSA15.04 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.30
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

Pyrido[3,2-c]azepine
CID 129706333
(2E,4E)-N-[(1E,3Z)-2-ethenyl-5-methyliminopenta-1,3-dienyl]-4-fluorohepta-2,4,6-trien-2-amine
CID 138713182
(2Z,4E)-3-(ethylideneamino)-4-fluoro-N-methyl-2-[(Z)-prop-1-enyl]hexa-2,4-dien-1-amine
CID 170047278
10-methyl-9-methylidene-8H-pyrrolo[2,3-d]azonine
CID 91195157
[(2E)-10-(dimethylamino)-3,7-dimethyldeca-2,4,6,8-tetraenylidene]-methylazanium
CID 53867949
N,4-dimethyl-10-methyliminoundeca-2,4,6,8-tetraen-2-amine
CID 53962751
[(2E)-3,7-dimethyl-9-(methylamino)nona-2,4,6,8-tetraenylidene]-methylazanium
CID 54465705
6,7-Dihydro-1,7-naphthyridine
CID 58988416
Methyl-[5,6,7,9-tetramethyl-13-(methylamino)trideca-2,4,6,8,10,12-hexaenylidene]azanium
CID 59929322
Methyl-[5,6,7-trimethyl-11-(methylamino)undeca-2,4,6,8,10-pentaenylidene]azanium
CID 59929349
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

Frequently Asked Questions

What is the IUPAC name of dimethyl-[5-methyl-4-(methylamino)hepta-2,4-dienylidene]azanium?
The IUPAC name of dimethyl-[5-methyl-4-(methylamino)hepta-2,4-dienylidene]azanium (CID 123297385) is dimethyl-[5-methyl-4-(methylamino)hepta-2,4-dienylidene]azanium.
What is the SMILES notation for dimethyl-[5-methyl-4-(methylamino)hepta-2,4-dienylidene]azanium?
The canonical SMILES for dimethyl-[5-methyl-4-(methylamino)hepta-2,4-dienylidene]azanium is CCC(C)=C(C=CC=[N+](C)C)NC.
What is the InChIKey of dimethyl-[5-methyl-4-(methylamino)hepta-2,4-dienylidene]azanium?
The InChIKey is UILAWVPFUVWGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N2/c1-6-10(2)11(12-3)8-7-9-13(4)5/h7-9,12H,6H2,1-5H3/q+1.
What are the key properties of dimethyl-[5-methyl-4-(methylamino)hepta-2,4-dienylidene]azanium?
dimethyl-[5-methyl-4-(methylamino)hepta-2,4-dienylidene]azanium has a molecular weight of 181.30 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[5-methyl-4-(methylamino)hepta-2,4-dienylidene]azanium is sourced from PubChem (CID 123297385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).