butyl-(6,8-dimethylundec-5-en-5-yl)-methylideneazanium

C18H36N+ — CID 123660095

IUPACbutyl-(6,8-dimethylundec-5-en-5-yl)-methylideneazanium
SMILESC=[N+](CCCC)C(CCCC)=C(C)CC(C)CCC
InChIInChI=1S/C18H36N/c1-7-10-13-18(19(6)14-11-8-2)17(5)15-16(4)12-9-3/h16H,6-15H2,1-5H3/q+1
InChIKeyPIUZKAIGGJJSHV-UHFFFAOYSA-N
MW266.49 g/mol
LogP5.79
Rot. Bonds11

About butyl-(6,8-dimethylundec-5-en-5-yl)-methylideneazanium

butyl-(6,8-dimethylundec-5-en-5-yl)-methylideneazanium (PubChem CID 123660095) has the molecular formula C18H36N+ and a molecular weight of 266.49 g/mol. Its IUPAC name is butyl-(6,8-dimethylundec-5-en-5-yl)-methylideneazanium.

Molecular Properties

Compound Namebutyl-(6,8-dimethylundec-5-en-5-yl)-methylideneazanium
PubChem CID123660095
Molecular FormulaC18H36N+
Molecular Weight266.49 g/mol
Exact Mass266.28
IUPAC Namebutyl-(6,8-dimethylundec-5-en-5-yl)-methylideneazanium
SMILESC=[N+](CCCC)C(CCCC)=C(C)CC(C)CCC
InChIInChI=1S/C18H36N/c1-7-10-13-18(19(6)14-11-8-2)17(5)15-16(4)12-9-3/h16H,6-15H2,1-5H3/q+1
InChIKeyPIUZKAIGGJJSHV-UHFFFAOYSA-N
XLogP5.79
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.49
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of butyl-(6,8-dimethylundec-5-en-5-yl)-methylideneazanium?
The IUPAC name of butyl-(6,8-dimethylundec-5-en-5-yl)-methylideneazanium (CID 123660095) is butyl-(6,8-dimethylundec-5-en-5-yl)-methylideneazanium.
What is the SMILES notation for butyl-(6,8-dimethylundec-5-en-5-yl)-methylideneazanium?
The canonical SMILES for butyl-(6,8-dimethylundec-5-en-5-yl)-methylideneazanium is C=[N+](CCCC)C(CCCC)=C(C)CC(C)CCC.
What is the InChIKey of butyl-(6,8-dimethylundec-5-en-5-yl)-methylideneazanium?
The InChIKey is PIUZKAIGGJJSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N/c1-7-10-13-18(19(6)14-11-8-2)17(5)15-16(4)12-9-3/h16H,6-15H2,1-5H3/q+1.
What are the key properties of butyl-(6,8-dimethylundec-5-en-5-yl)-methylideneazanium?
butyl-(6,8-dimethylundec-5-en-5-yl)-methylideneazanium has a molecular weight of 266.49 g/mol, XLogP of 5.79, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-(6,8-dimethylundec-5-en-5-yl)-methylideneazanium is sourced from PubChem (CID 123660095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).