[(Z)-heptadec-8-enylidene]-methylideneazanium

C18H34N+ — CID 6912091

IUPAC[(Z)-heptadec-8-enylidene]-methylideneazanium
SMILESC=[N+]=CCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C18H34N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-2/h10-11,18H,2-9,12-17H2,1H3/q+1/b11-10-
InChIKeyMRGQWZUSXMHKSY-KHPPLWFESA-N
MW264.48 g/mol
LogP5.47
Rot. Bonds14

About [(Z)-heptadec-8-enylidene]-methylideneazanium

[(Z)-heptadec-8-enylidene]-methylideneazanium (PubChem CID 6912091) has the molecular formula C18H34N+ and a molecular weight of 264.48 g/mol. Its IUPAC name is [(Z)-heptadec-8-enylidene]-methylideneazanium.

Molecular Properties

Compound Name[(Z)-heptadec-8-enylidene]-methylideneazanium
PubChem CID6912091
Molecular FormulaC18H34N+
Molecular Weight264.48 g/mol
Exact Mass264.27
IUPAC Name[(Z)-heptadec-8-enylidene]-methylideneazanium
SMILESC=[N+]=CCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C18H34N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-2/h10-11,18H,2-9,12-17H2,1H3/q+1/b11-10-
InChIKeyMRGQWZUSXMHKSY-KHPPLWFESA-N
XLogP5.47
TPSA14.10 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.48
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

CID 6435659
CID 6435659
CID 58152
CID 58152
CID 129657727
CID 129657727
CID 129695036
CID 129695036
CID 6450082
CID 6450082
CID 19602050
CID 19602050
CID 53791553
CID 53791553
CID 53865000
CID 53865000
CID 54364726
CID 54364726
CID 54403871
CID 54403871
CID 57025841
CID 57025841
CID 57114269
CID 57114269

Frequently Asked Questions

What is the IUPAC name of [(Z)-heptadec-8-enylidene]-methylideneazanium?
The IUPAC name of [(Z)-heptadec-8-enylidene]-methylideneazanium (CID 6912091) is [(Z)-heptadec-8-enylidene]-methylideneazanium.
What is the SMILES notation for [(Z)-heptadec-8-enylidene]-methylideneazanium?
The canonical SMILES for [(Z)-heptadec-8-enylidene]-methylideneazanium is C=[N+]=CCCCCCC/C=C\CCCCCCCC.
What is the InChIKey of [(Z)-heptadec-8-enylidene]-methylideneazanium?
The InChIKey is MRGQWZUSXMHKSY-KHPPLWFESA-N. The full InChI is InChI=1S/C18H34N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-2/h10-11,18H,2-9,12-17H2,1H3/q+1/b11-10-.
What are the key properties of [(Z)-heptadec-8-enylidene]-methylideneazanium?
[(Z)-heptadec-8-enylidene]-methylideneazanium has a molecular weight of 264.48 g/mol, XLogP of 5.47, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-heptadec-8-enylidene]-methylideneazanium is sourced from PubChem (CID 6912091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).