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

C15H30ClN2+ — CID 11774440

IUPAC[(Z)-2-chloro-3-[di(propan-2-yl)amino]prop-2-enylidene]-di(propan-2-yl)azanium
SMILESCC(C)N(/C=C(\Cl)C=[N+](C(C)C)C(C)C)C(C)C
InChIInChI=1S/C15H30ClN2/c1-11(2)17(12(3)4)9-15(16)10-18(13(5)6)14(7)8/h9-14H,1-8H3/q+1
InChIKeyIQLYNAGTXLYQNF-UHFFFAOYSA-N
MW273.87 g/mol
LogP4.09
Rot. Bonds6

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

[(Z)-2-chloro-3-[di(propan-2-yl)amino]prop-2-enylidene]-di(propan-2-yl)azanium (PubChem CID 11774440) has the molecular formula C15H30ClN2+ and a molecular weight of 273.87 g/mol. Its IUPAC name is [(Z)-2-chloro-3-[di(propan-2-yl)amino]prop-2-enylidene]-di(propan-2-yl)azanium.

Molecular Properties

Compound Name[(Z)-2-chloro-3-[di(propan-2-yl)amino]prop-2-enylidene]-di(propan-2-yl)azanium
PubChem CID11774440
Molecular FormulaC15H30ClN2+
Molecular Weight273.87 g/mol
Exact Mass273.21
IUPAC Name[(Z)-2-chloro-3-[di(propan-2-yl)amino]prop-2-enylidene]-di(propan-2-yl)azanium
SMILESCC(C)N(/C=C(\Cl)C=[N+](C(C)C)C(C)C)C(C)C
InChIInChI=1S/C15H30ClN2/c1-11(2)17(12(3)4)9-15(16)10-18(13(5)6)14(7)8/h9-14H,1-8H3/q+1
InChIKeyIQLYNAGTXLYQNF-UHFFFAOYSA-N
XLogP4.09
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.87
LogP ≤ 54.09
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

(Z)-N-(2-Chloro-3-(dimethylamino)allylidene)-N-methylmethanaminium
CID 10590808
[2-Chloro-3-(dimethylamino)prop-2-enylidene]-dimethylazanium
CID 54540575
[(Z)-2-chloro-3-[di(propan-2-yl)amino]prop-2-enylidene]-di(propan-2-yl)azanium hexafluorophosphate
CID 11774439
[(Z)-2,3-bis(dimethylamino)prop-2-enylidene]-dimethylazanium chloride
CID 134893672
[(E)-2-chloro-3-(dimethylamino)prop-2-enylidene]-dimethylazanium
CID 10892152
(Z)-2-chloro-N,N-dimethyl-3-methyliminoprop-1-en-1-amine
CID 20667853
(E)-2-chloro-N,N-dimethyl-3-methyliminoprop-1-en-1-amine
CID 59959970
2-chloro-N,N-dimethyl-3-methyliminoprop-1-en-1-amine
CID 72607322
[2-Chloro-3-[ethyl(methyl)amino]prop-2-enylidene]-dimethylazanium
CID 90715688
(2-Chloro-3-dimethylazaniumylideneprop-1-enyl)-trimethylazanium
CID 90963009
N-ethenyl-3-methylimino-N-propan-2-ylprop-1-en-2-amine
CID 91379689
[3-(Dimethylamino)-2-[ethyl(methyl)amino]prop-2-enylidene]-dimethylazanium
CID 123420821

Frequently Asked Questions

What is the IUPAC name of [(Z)-2-chloro-3-[di(propan-2-yl)amino]prop-2-enylidene]-di(propan-2-yl)azanium?
The IUPAC name of [(Z)-2-chloro-3-[di(propan-2-yl)amino]prop-2-enylidene]-di(propan-2-yl)azanium (CID 11774440) is [(Z)-2-chloro-3-[di(propan-2-yl)amino]prop-2-enylidene]-di(propan-2-yl)azanium.
What is the SMILES notation for [(Z)-2-chloro-3-[di(propan-2-yl)amino]prop-2-enylidene]-di(propan-2-yl)azanium?
The canonical SMILES for [(Z)-2-chloro-3-[di(propan-2-yl)amino]prop-2-enylidene]-di(propan-2-yl)azanium is CC(C)N(/C=C(\Cl)C=[N+](C(C)C)C(C)C)C(C)C.
What is the InChIKey of [(Z)-2-chloro-3-[di(propan-2-yl)amino]prop-2-enylidene]-di(propan-2-yl)azanium?
The InChIKey is IQLYNAGTXLYQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30ClN2/c1-11(2)17(12(3)4)9-15(16)10-18(13(5)6)14(7)8/h9-14H,1-8H3/q+1.
What are the key properties of [(Z)-2-chloro-3-[di(propan-2-yl)amino]prop-2-enylidene]-di(propan-2-yl)azanium?
[(Z)-2-chloro-3-[di(propan-2-yl)amino]prop-2-enylidene]-di(propan-2-yl)azanium has a molecular weight of 273.87 g/mol, XLogP of 4.09, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-chloro-3-[di(propan-2-yl)amino]prop-2-enylidene]-di(propan-2-yl)azanium is sourced from PubChem (CID 11774440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).