N-butyl-N-(1-cycloprop-2-en-1-ylethyl)-4-fluorobutan-1-amine

C13H24FN — CID 134405267

IUPACN-butyl-N-(1-cycloprop-2-en-1-ylethyl)-4-fluorobutan-1-amine
SMILESCCCCN(CCCCF)C(C)C1C=C1
InChIInChI=1S/C13H24FN/c1-3-4-10-15(11-6-5-9-14)12(2)13-7-8-13/h7-8,12-13H,3-6,9-11H2,1-2H3
InChIKeySXWFQXXOAPDRHF-UHFFFAOYSA-N
MW213.34 g/mol
LogP3.41
Rot. Bonds9

About N-butyl-N-(1-cycloprop-2-en-1-ylethyl)-4-fluorobutan-1-amine

N-butyl-N-(1-cycloprop-2-en-1-ylethyl)-4-fluorobutan-1-amine (PubChem CID 134405267) has the molecular formula C13H24FN and a molecular weight of 213.34 g/mol. Its IUPAC name is N-butyl-N-(1-cycloprop-2-en-1-ylethyl)-4-fluorobutan-1-amine.

Molecular Properties

Compound NameN-butyl-N-(1-cycloprop-2-en-1-ylethyl)-4-fluorobutan-1-amine
PubChem CID134405267
Molecular FormulaC13H24FN
Molecular Weight213.34 g/mol
Exact Mass213.19
IUPAC NameN-butyl-N-(1-cycloprop-2-en-1-ylethyl)-4-fluorobutan-1-amine
SMILESCCCCN(CCCCF)C(C)C1C=C1
InChIInChI=1S/C13H24FN/c1-3-4-10-15(11-6-5-9-14)12(2)13-7-8-13/h7-8,12-13H,3-6,9-11H2,1-2H3
InChIKeySXWFQXXOAPDRHF-UHFFFAOYSA-N
XLogP3.41
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.34
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-N-propan-2-ylbutan-1-amine;hydrochloride
CID 173040344
N-butyl-N-propan-2-ylbutan-1-amine;ethane
CID 143004745
N-dodecyl-N-propan-2-yltetradecan-1-amine
CID 87516029
(2S)-N,N-dibutylhexan-2-amine
CID 124633708
1-N',1-N'-dibutylethane-1,1-diamine
CID 22600656
1-fluoropentane;hydrofluoride
CID 159001340
1-fluoroheptatriacontane
CID 54496561
1-fluoropentane;methane
CID 160548083
1-fluorododecane;hexane
CID 174651345
N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-N-propan-2-ylpentan-1-amine
CID 81170250
N,N-dibutylpentan-2-amine;hydrate
CID 172857272
N'-butan-2-yl-N'-butyl-N-propylbutane-1,4-diamine
CID 55069340

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(1-cycloprop-2-en-1-ylethyl)-4-fluorobutan-1-amine?
The IUPAC name of N-butyl-N-(1-cycloprop-2-en-1-ylethyl)-4-fluorobutan-1-amine (CID 134405267) is N-butyl-N-(1-cycloprop-2-en-1-ylethyl)-4-fluorobutan-1-amine.
What is the SMILES notation for N-butyl-N-(1-cycloprop-2-en-1-ylethyl)-4-fluorobutan-1-amine?
The canonical SMILES for N-butyl-N-(1-cycloprop-2-en-1-ylethyl)-4-fluorobutan-1-amine is CCCCN(CCCCF)C(C)C1C=C1.
What is the InChIKey of N-butyl-N-(1-cycloprop-2-en-1-ylethyl)-4-fluorobutan-1-amine?
The InChIKey is SXWFQXXOAPDRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24FN/c1-3-4-10-15(11-6-5-9-14)12(2)13-7-8-13/h7-8,12-13H,3-6,9-11H2,1-2H3.
What are the key properties of N-butyl-N-(1-cycloprop-2-en-1-ylethyl)-4-fluorobutan-1-amine?
N-butyl-N-(1-cycloprop-2-en-1-ylethyl)-4-fluorobutan-1-amine has a molecular weight of 213.34 g/mol, XLogP of 3.41, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(1-cycloprop-2-en-1-ylethyl)-4-fluorobutan-1-amine is sourced from PubChem (CID 134405267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).