butyl-(3,4-dimethylpent-1-enyl)-ethylideneazanium

C13H26N+ — CID 123189357

IUPACbutyl-(3,4-dimethylpent-1-enyl)-ethylideneazanium
SMILESC/C=[N+](/C=CC(C)C(C)C)CCCC
InChIInChI=1S/C13H26N/c1-6-8-10-14(7-2)11-9-13(5)12(3)4/h7,9,11-13H,6,8,10H2,1-5H3/q+1/b11-9?,14-7+
InChIKeyDFXGTRIVPGTNHD-JTOAWNLBSA-N
MW196.36 g/mol
LogP3.70
Rot. Bonds6

About butyl-(3,4-dimethylpent-1-enyl)-ethylideneazanium

butyl-(3,4-dimethylpent-1-enyl)-ethylideneazanium (PubChem CID 123189357) has the molecular formula C13H26N+ and a molecular weight of 196.36 g/mol. Its IUPAC name is butyl-(3,4-dimethylpent-1-enyl)-ethylideneazanium.

Molecular Properties

Compound Namebutyl-(3,4-dimethylpent-1-enyl)-ethylideneazanium
PubChem CID123189357
Molecular FormulaC13H26N+
Molecular Weight196.36 g/mol
Exact Mass196.21
IUPAC Namebutyl-(3,4-dimethylpent-1-enyl)-ethylideneazanium
SMILESC/C=[N+](/C=CC(C)C(C)C)CCCC
InChIInChI=1S/C13H26N/c1-6-8-10-14(7-2)11-9-13(5)12(3)4/h7,9,11-13H,6,8,10H2,1-5H3/q+1/b11-9?,14-7+
InChIKeyDFXGTRIVPGTNHD-JTOAWNLBSA-N
XLogP3.70
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.36
LogP ≤ 53.70
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-(3,4-dimethylpent-1-enyl)-ethylideneazanium?
The IUPAC name of butyl-(3,4-dimethylpent-1-enyl)-ethylideneazanium (CID 123189357) is butyl-(3,4-dimethylpent-1-enyl)-ethylideneazanium.
What is the SMILES notation for butyl-(3,4-dimethylpent-1-enyl)-ethylideneazanium?
The canonical SMILES for butyl-(3,4-dimethylpent-1-enyl)-ethylideneazanium is C/C=[N+](/C=CC(C)C(C)C)CCCC.
What is the InChIKey of butyl-(3,4-dimethylpent-1-enyl)-ethylideneazanium?
The InChIKey is DFXGTRIVPGTNHD-JTOAWNLBSA-N. The full InChI is InChI=1S/C13H26N/c1-6-8-10-14(7-2)11-9-13(5)12(3)4/h7,9,11-13H,6,8,10H2,1-5H3/q+1/b11-9?,14-7+.
What are the key properties of butyl-(3,4-dimethylpent-1-enyl)-ethylideneazanium?
butyl-(3,4-dimethylpent-1-enyl)-ethylideneazanium has a molecular weight of 196.36 g/mol, XLogP of 3.70, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-(3,4-dimethylpent-1-enyl)-ethylideneazanium is sourced from PubChem (CID 123189357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).