[(Z)-2-[(Z)-but-1-enyl]iminohex-3-en-3-yl]-(3,3-dimethylbutan-2-yl)-dimethylazanium

C18H35N2+ — CID 174322622

IUPAC[(Z)-2-[(Z)-but-1-enyl]iminohex-3-en-3-yl]-(3,3-dimethylbutan-2-yl)-dimethylazanium
SMILESCC/C=C\N=C(C)\C(=C\CC)[N+](C)(C)C(C)C(C)(C)C
InChIInChI=1S/C18H35N2/c1-10-12-14-19-15(3)17(13-11-2)20(8,9)16(4)18(5,6)7/h12-14,16H,10-11H2,1-9H3/q+1/b14-12-,17-13-,19-15+
InChIKeyOENXEYXYBKQPED-QRBYBRKLSA-N
MW279.49 g/mol
LogP5.18
Rot. Bonds6

About [(Z)-2-[(Z)-but-1-enyl]iminohex-3-en-3-yl]-(3,3-dimethylbutan-2-yl)-dimethylazanium

[(Z)-2-[(Z)-but-1-enyl]iminohex-3-en-3-yl]-(3,3-dimethylbutan-2-yl)-dimethylazanium (PubChem CID 174322622) has the molecular formula C18H35N2+ and a molecular weight of 279.49 g/mol. Its IUPAC name is [(Z)-2-[(Z)-but-1-enyl]iminohex-3-en-3-yl]-(3,3-dimethylbutan-2-yl)-dimethylazanium.

Molecular Properties

Compound Name[(Z)-2-[(Z)-but-1-enyl]iminohex-3-en-3-yl]-(3,3-dimethylbutan-2-yl)-dimethylazanium
PubChem CID174322622
Molecular FormulaC18H35N2+
Molecular Weight279.49 g/mol
Exact Mass279.28
IUPAC Name[(Z)-2-[(Z)-but-1-enyl]iminohex-3-en-3-yl]-(3,3-dimethylbutan-2-yl)-dimethylazanium
SMILESCC/C=C\N=C(C)\C(=C\CC)[N+](C)(C)C(C)C(C)(C)C
InChIInChI=1S/C18H35N2/c1-10-12-14-19-15(3)17(13-11-2)20(8,9)16(4)18(5,6)7/h12-14,16H,10-11H2,1-9H3/q+1/b14-12-,17-13-,19-15+
InChIKeyOENXEYXYBKQPED-QRBYBRKLSA-N
XLogP5.18
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.49
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(Z)-2-[(Z)-but-1-enyl]iminohex-3-en-3-yl]-(3,3-dimethylbutan-2-yl)-dimethylazanium?
The IUPAC name of [(Z)-2-[(Z)-but-1-enyl]iminohex-3-en-3-yl]-(3,3-dimethylbutan-2-yl)-dimethylazanium (CID 174322622) is [(Z)-2-[(Z)-but-1-enyl]iminohex-3-en-3-yl]-(3,3-dimethylbutan-2-yl)-dimethylazanium.
What is the SMILES notation for [(Z)-2-[(Z)-but-1-enyl]iminohex-3-en-3-yl]-(3,3-dimethylbutan-2-yl)-dimethylazanium?
The canonical SMILES for [(Z)-2-[(Z)-but-1-enyl]iminohex-3-en-3-yl]-(3,3-dimethylbutan-2-yl)-dimethylazanium is CC/C=C\N=C(C)\C(=C\CC)[N+](C)(C)C(C)C(C)(C)C.
What is the InChIKey of [(Z)-2-[(Z)-but-1-enyl]iminohex-3-en-3-yl]-(3,3-dimethylbutan-2-yl)-dimethylazanium?
The InChIKey is OENXEYXYBKQPED-QRBYBRKLSA-N. The full InChI is InChI=1S/C18H35N2/c1-10-12-14-19-15(3)17(13-11-2)20(8,9)16(4)18(5,6)7/h12-14,16H,10-11H2,1-9H3/q+1/b14-12-,17-13-,19-15+.
What are the key properties of [(Z)-2-[(Z)-but-1-enyl]iminohex-3-en-3-yl]-(3,3-dimethylbutan-2-yl)-dimethylazanium?
[(Z)-2-[(Z)-but-1-enyl]iminohex-3-en-3-yl]-(3,3-dimethylbutan-2-yl)-dimethylazanium has a molecular weight of 279.49 g/mol, XLogP of 5.18, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-[(Z)-but-1-enyl]iminohex-3-en-3-yl]-(3,3-dimethylbutan-2-yl)-dimethylazanium is sourced from PubChem (CID 174322622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).