[(E)-3-[di(propan-2-yl)amino]prop-2-enylidene]-di(propan-2-yl)azanium

C15H31N2+ — CID 11165018

IUPAC[(E)-3-[di(propan-2-yl)amino]prop-2-enylidene]-di(propan-2-yl)azanium
SMILESCC(C)N(/C=C/C=[N+](C(C)C)C(C)C)C(C)C
InChIInChI=1S/C15H31N2/c1-12(2)16(13(3)4)10-9-11-17(14(5)6)15(7)8/h9-15H,1-8H3/q+1
InChIKeyIRTHMEAEKKETQV-UHFFFAOYSA-N
MW239.43 g/mol
LogP3.52
Rot. Bonds6

About [(E)-3-[di(propan-2-yl)amino]prop-2-enylidene]-di(propan-2-yl)azanium

[(E)-3-[di(propan-2-yl)amino]prop-2-enylidene]-di(propan-2-yl)azanium (PubChem CID 11165018) has the molecular formula C15H31N2+ and a molecular weight of 239.43 g/mol. Its IUPAC name is [(E)-3-[di(propan-2-yl)amino]prop-2-enylidene]-di(propan-2-yl)azanium.

Molecular Properties

Compound Name[(E)-3-[di(propan-2-yl)amino]prop-2-enylidene]-di(propan-2-yl)azanium
PubChem CID11165018
Molecular FormulaC15H31N2+
Molecular Weight239.43 g/mol
Exact Mass239.25
IUPAC Name[(E)-3-[di(propan-2-yl)amino]prop-2-enylidene]-di(propan-2-yl)azanium
SMILESCC(C)N(/C=C/C=[N+](C(C)C)C(C)C)C(C)C
InChIInChI=1S/C15H31N2/c1-12(2)16(13(3)4)10-9-11-17(14(5)6)15(7)8/h9-15H,1-8H3/q+1
InChIKeyIRTHMEAEKKETQV-UHFFFAOYSA-N
XLogP3.52
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.43
LogP ≤ 53.52
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

methanaminium, N-[(2E)-3-(dimethylamino)-2-propenylidene]-N-methyl-
CID 638326
Methanaminium, N-[3-(dimethylamino)-2-propenylidene]-N-methyl-
CID 3994380
Methanaminium, N-[5-(dimethylamino)-2,4-pentadienylidene]-N-methyl-
CID 17267
N-[(2E,4E)-5-(dimethylamino)penta-2,4-dien-1-ylidene]-N-methylmethanaminium
CID 638325
[(2E,4E,6E)-7-(dimethylamino)hepta-2,4,6-trienylidene]-dimethylazanium
CID 13081060
7-(Dimethylamino)hepta-2,4,6-trienylidene-dimethylazanium
CID 23278995
[(E)-3-(dimethylamino)prop-2-enylidene]-dimethylazanium iodide
CID 134897863
[(Z)-3-(dimethylamino)prop-2-enylidene]-dimethylazanium
CID 96570747
[(E)-3-(dimethylamino)prop-2-enylidene]-dimethylazanium chloride
CID 10888246
[(2E,4E,6E,8E)-9-(dimethylamino)nona-2,4,6,8-tetraenylidene]-dimethylazanium
CID 12908324
[(Z)-3-(dimethylamino)but-2-enylidene]-dimethylazanium
CID 21132459
1-Methyl-1,4-diazepine
CID 22061366

Frequently Asked Questions

What is the IUPAC name of [(E)-3-[di(propan-2-yl)amino]prop-2-enylidene]-di(propan-2-yl)azanium?
The IUPAC name of [(E)-3-[di(propan-2-yl)amino]prop-2-enylidene]-di(propan-2-yl)azanium (CID 11165018) is [(E)-3-[di(propan-2-yl)amino]prop-2-enylidene]-di(propan-2-yl)azanium.
What is the SMILES notation for [(E)-3-[di(propan-2-yl)amino]prop-2-enylidene]-di(propan-2-yl)azanium?
The canonical SMILES for [(E)-3-[di(propan-2-yl)amino]prop-2-enylidene]-di(propan-2-yl)azanium is CC(C)N(/C=C/C=[N+](C(C)C)C(C)C)C(C)C.
What is the InChIKey of [(E)-3-[di(propan-2-yl)amino]prop-2-enylidene]-di(propan-2-yl)azanium?
The InChIKey is IRTHMEAEKKETQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N2/c1-12(2)16(13(3)4)10-9-11-17(14(5)6)15(7)8/h9-15H,1-8H3/q+1.
What are the key properties of [(E)-3-[di(propan-2-yl)amino]prop-2-enylidene]-di(propan-2-yl)azanium?
[(E)-3-[di(propan-2-yl)amino]prop-2-enylidene]-di(propan-2-yl)azanium has a molecular weight of 239.43 g/mol, XLogP of 3.52, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-[di(propan-2-yl)amino]prop-2-enylidene]-di(propan-2-yl)azanium is sourced from PubChem (CID 11165018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).