N-butyl-3-fluoro-N-(3-methylsulfanylpropyl)cyclobutan-1-amine

C12H24FNS — CID 126540000

IUPACN-butyl-3-fluoro-N-(3-methylsulfanylpropyl)cyclobutan-1-amine
SMILESCCCCN(CCCSC)C1CC(F)C1
InChIInChI=1S/C12H24FNS/c1-3-4-6-14(7-5-8-15-2)12-9-11(13)10-12/h11-12H,3-10H2,1-2H3
InChIKeyFXXBWOHSMBJJMM-UHFFFAOYSA-N
MW233.40 g/mol
LogP3.34
Rot. Bonds8

About N-butyl-3-fluoro-N-(3-methylsulfanylpropyl)cyclobutan-1-amine

N-butyl-3-fluoro-N-(3-methylsulfanylpropyl)cyclobutan-1-amine (PubChem CID 126540000) has the molecular formula C12H24FNS and a molecular weight of 233.40 g/mol. Its IUPAC name is N-butyl-3-fluoro-N-(3-methylsulfanylpropyl)cyclobutan-1-amine.

Molecular Properties

Compound NameN-butyl-3-fluoro-N-(3-methylsulfanylpropyl)cyclobutan-1-amine
PubChem CID126540000
Molecular FormulaC12H24FNS
Molecular Weight233.40 g/mol
Exact Mass233.16
IUPAC NameN-butyl-3-fluoro-N-(3-methylsulfanylpropyl)cyclobutan-1-amine
SMILESCCCCN(CCCSC)C1CC(F)C1
InChIInChI=1S/C12H24FNS/c1-3-4-6-14(7-5-8-15-2)12-9-11(13)10-12/h11-12H,3-10H2,1-2H3
InChIKeyFXXBWOHSMBJJMM-UHFFFAOYSA-N
XLogP3.34
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butyl-3-fluoro-N-(3-methylsulfanylpropyl)cyclobutan-1-amine?
The IUPAC name of N-butyl-3-fluoro-N-(3-methylsulfanylpropyl)cyclobutan-1-amine (CID 126540000) is N-butyl-3-fluoro-N-(3-methylsulfanylpropyl)cyclobutan-1-amine.
What is the SMILES notation for N-butyl-3-fluoro-N-(3-methylsulfanylpropyl)cyclobutan-1-amine?
The canonical SMILES for N-butyl-3-fluoro-N-(3-methylsulfanylpropyl)cyclobutan-1-amine is CCCCN(CCCSC)C1CC(F)C1.
What is the InChIKey of N-butyl-3-fluoro-N-(3-methylsulfanylpropyl)cyclobutan-1-amine?
The InChIKey is FXXBWOHSMBJJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24FNS/c1-3-4-6-14(7-5-8-15-2)12-9-11(13)10-12/h11-12H,3-10H2,1-2H3.
What are the key properties of N-butyl-3-fluoro-N-(3-methylsulfanylpropyl)cyclobutan-1-amine?
N-butyl-3-fluoro-N-(3-methylsulfanylpropyl)cyclobutan-1-amine has a molecular weight of 233.40 g/mol, XLogP of 3.34, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-fluoro-N-(3-methylsulfanylpropyl)cyclobutan-1-amine is sourced from PubChem (CID 126540000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).