butyl-[2-fluoro-1-(3-methylidenecyclopentyl)propan-2-yl]-dimethylazanium

C15H29FN+ — CID 146650902

IUPACbutyl-[2-fluoro-1-(3-methylidenecyclopentyl)propan-2-yl]-dimethylazanium
SMILESC=C1CCC(CC(C)(F)[N+](C)(C)CCCC)C1
InChIInChI=1S/C15H29FN/c1-6-7-10-17(4,5)15(3,16)12-14-9-8-13(2)11-14/h14H,2,6-12H2,1,3-5H3/q+1
InChIKeyWQRZWLRRCMKWAS-UHFFFAOYSA-N
MW242.40 g/mol
LogP4.30
Rot. Bonds6

About butyl-[2-fluoro-1-(3-methylidenecyclopentyl)propan-2-yl]-dimethylazanium

butyl-[2-fluoro-1-(3-methylidenecyclopentyl)propan-2-yl]-dimethylazanium (PubChem CID 146650902) has the molecular formula C15H29FN+ and a molecular weight of 242.40 g/mol. Its IUPAC name is butyl-[2-fluoro-1-(3-methylidenecyclopentyl)propan-2-yl]-dimethylazanium.

Molecular Properties

Compound Namebutyl-[2-fluoro-1-(3-methylidenecyclopentyl)propan-2-yl]-dimethylazanium
PubChem CID146650902
Molecular FormulaC15H29FN+
Molecular Weight242.40 g/mol
Exact Mass242.23
IUPAC Namebutyl-[2-fluoro-1-(3-methylidenecyclopentyl)propan-2-yl]-dimethylazanium
SMILESC=C1CCC(CC(C)(F)[N+](C)(C)CCCC)C1
InChIInChI=1S/C15H29FN/c1-6-7-10-17(4,5)15(3,16)12-14-9-8-13(2)11-14/h14H,2,6-12H2,1,3-5H3/q+1
InChIKeyWQRZWLRRCMKWAS-UHFFFAOYSA-N
XLogP4.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.40
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of butyl-[2-fluoro-1-(3-methylidenecyclopentyl)propan-2-yl]-dimethylazanium?
The IUPAC name of butyl-[2-fluoro-1-(3-methylidenecyclopentyl)propan-2-yl]-dimethylazanium (CID 146650902) is butyl-[2-fluoro-1-(3-methylidenecyclopentyl)propan-2-yl]-dimethylazanium.
What is the SMILES notation for butyl-[2-fluoro-1-(3-methylidenecyclopentyl)propan-2-yl]-dimethylazanium?
The canonical SMILES for butyl-[2-fluoro-1-(3-methylidenecyclopentyl)propan-2-yl]-dimethylazanium is C=C1CCC(CC(C)(F)[N+](C)(C)CCCC)C1.
What is the InChIKey of butyl-[2-fluoro-1-(3-methylidenecyclopentyl)propan-2-yl]-dimethylazanium?
The InChIKey is WQRZWLRRCMKWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29FN/c1-6-7-10-17(4,5)15(3,16)12-14-9-8-13(2)11-14/h14H,2,6-12H2,1,3-5H3/q+1.
What are the key properties of butyl-[2-fluoro-1-(3-methylidenecyclopentyl)propan-2-yl]-dimethylazanium?
butyl-[2-fluoro-1-(3-methylidenecyclopentyl)propan-2-yl]-dimethylazanium has a molecular weight of 242.40 g/mol, XLogP of 4.30, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-[2-fluoro-1-(3-methylidenecyclopentyl)propan-2-yl]-dimethylazanium is sourced from PubChem (CID 146650902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).