[(2Z)-2,3-dimethyl-7-(methylamino)hepta-2,4,6-trienylidene]-propan-2-ylazanium

C13H23N2+ — CID 59970359

IUPAC[(2Z)-2,3-dimethyl-7-(methylamino)hepta-2,4,6-trienylidene]-propan-2-ylazanium
SMILESCNC=CC=C/C(C)=C(C)\C=[NH+]\C(C)C
InChIInChI=1S/C13H22N2/c1-11(2)15-10-13(4)12(3)8-6-7-9-14-5/h6-11,14H,1-5H3/p+1/b8-6?,9-7?,13-12-,15-10+
InChIKeyLDCBZFWWYUCIDB-ZMMZWBKESA-O
MW207.34 g/mol
LogP1.17
Rot. Bonds5

About [(2Z)-2,3-dimethyl-7-(methylamino)hepta-2,4,6-trienylidene]-propan-2-ylazanium

[(2Z)-2,3-dimethyl-7-(methylamino)hepta-2,4,6-trienylidene]-propan-2-ylazanium (PubChem CID 59970359) has the molecular formula C13H23N2+ and a molecular weight of 207.34 g/mol. Its IUPAC name is [(2Z)-2,3-dimethyl-7-(methylamino)hepta-2,4,6-trienylidene]-propan-2-ylazanium.

Molecular Properties

Compound Name[(2Z)-2,3-dimethyl-7-(methylamino)hepta-2,4,6-trienylidene]-propan-2-ylazanium
PubChem CID59970359
Molecular FormulaC13H23N2+
Molecular Weight207.34 g/mol
Exact Mass207.19
IUPAC Name[(2Z)-2,3-dimethyl-7-(methylamino)hepta-2,4,6-trienylidene]-propan-2-ylazanium
SMILESCNC=CC=C/C(C)=C(C)\C=[NH+]\C(C)C
InChIInChI=1S/C13H22N2/c1-11(2)15-10-13(4)12(3)8-6-7-9-14-5/h6-11,14H,1-5H3/p+1/b8-6?,9-7?,13-12-,15-10+
InChIKeyLDCBZFWWYUCIDB-ZMMZWBKESA-O
XLogP1.17
TPSA26.00 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2Z)-2,3-dimethyl-7-(methylamino)hepta-2,4,6-trienylidene]-propan-2-ylazanium?
The IUPAC name of [(2Z)-2,3-dimethyl-7-(methylamino)hepta-2,4,6-trienylidene]-propan-2-ylazanium (CID 59970359) is [(2Z)-2,3-dimethyl-7-(methylamino)hepta-2,4,6-trienylidene]-propan-2-ylazanium.
What is the SMILES notation for [(2Z)-2,3-dimethyl-7-(methylamino)hepta-2,4,6-trienylidene]-propan-2-ylazanium?
The canonical SMILES for [(2Z)-2,3-dimethyl-7-(methylamino)hepta-2,4,6-trienylidene]-propan-2-ylazanium is CNC=CC=C/C(C)=C(C)\C=[NH+]\C(C)C.
What is the InChIKey of [(2Z)-2,3-dimethyl-7-(methylamino)hepta-2,4,6-trienylidene]-propan-2-ylazanium?
The InChIKey is LDCBZFWWYUCIDB-ZMMZWBKESA-O. The full InChI is InChI=1S/C13H22N2/c1-11(2)15-10-13(4)12(3)8-6-7-9-14-5/h6-11,14H,1-5H3/p+1/b8-6?,9-7?,13-12-,15-10+.
What are the key properties of [(2Z)-2,3-dimethyl-7-(methylamino)hepta-2,4,6-trienylidene]-propan-2-ylazanium?
[(2Z)-2,3-dimethyl-7-(methylamino)hepta-2,4,6-trienylidene]-propan-2-ylazanium has a molecular weight of 207.34 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z)-2,3-dimethyl-7-(methylamino)hepta-2,4,6-trienylidene]-propan-2-ylazanium is sourced from PubChem (CID 59970359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).