N-[1-(4-fluorophenyl)pentyl]hex-1-yn-3-amine

C17H24FN — CID 106226041

IUPACN-[1-(4-fluorophenyl)pentyl]hex-1-yn-3-amine
SMILESC#CC(CCC)NC(CCCC)c1ccc(F)cc1
InChIInChI=1S/C17H24FN/c1-4-7-9-17(19-16(6-3)8-5-2)14-10-12-15(18)13-11-14/h3,10-13,16-17,19H,4-5,7-9H2,1-2H3
InChIKeyQYJUBDVNUQXEDX-UHFFFAOYSA-N
MW261.38 g/mol
LogP4.45
Rot. Bonds8

About N-[1-(4-fluorophenyl)pentyl]hex-1-yn-3-amine

N-[1-(4-fluorophenyl)pentyl]hex-1-yn-3-amine (PubChem CID 106226041) has the molecular formula C17H24FN and a molecular weight of 261.38 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)pentyl]hex-1-yn-3-amine.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)pentyl]hex-1-yn-3-amine
PubChem CID106226041
Molecular FormulaC17H24FN
Molecular Weight261.38 g/mol
Exact Mass261.19
IUPAC NameN-[1-(4-fluorophenyl)pentyl]hex-1-yn-3-amine
SMILESC#CC(CCC)NC(CCCC)c1ccc(F)cc1
InChIInChI=1S/C17H24FN/c1-4-7-9-17(19-16(6-3)8-5-2)14-10-12-15(18)13-11-14/h3,10-13,16-17,19H,4-5,7-9H2,1-2H3
InChIKeyQYJUBDVNUQXEDX-UHFFFAOYSA-N
XLogP4.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.38
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(4-fluorophenyl)ethyl]hex-1-yn-3-amine
CID 103520522
1-(4-fluorophenyl)-N-propan-2-ylpentan-1-amine
CID 43111233
1-(4-fluorophenyl)pentylhydrazine
CID 53402329
N-[1-(4-fluorophenyl)pentyl]-6-methylheptan-2-amine
CID 43100534
4-fluoro-N-[1-(4-fluorophenyl)pentyl]aniline
CID 43107477
2-N-[1-(4-fluorophenyl)pentyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82945108
1-(4-fluorophenyl)-N-methoxypentan-1-amine
CID 82706495
N-(3,3,3-trifluoro-1-phenylpropyl)hex-1-yn-3-amine
CID 106226313
1-N,1-N-diethyl-2-N-[1-(4-fluorophenyl)pentyl]propane-1,2-diamine
CID 63478291
1-(4-fluorophenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pentan-1-amine
CID 106281715
1-(2-bromo-5-fluorophenyl)-N-hex-1-yn-3-ylethane-1,2-diamine
CID 114161092
1-(5-fluoro-2-methylphenyl)-N-hex-1-yn-3-ylethane-1,2-diamine
CID 106228115

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)pentyl]hex-1-yn-3-amine?
The IUPAC name of N-[1-(4-fluorophenyl)pentyl]hex-1-yn-3-amine (CID 106226041) is N-[1-(4-fluorophenyl)pentyl]hex-1-yn-3-amine.
What is the SMILES notation for N-[1-(4-fluorophenyl)pentyl]hex-1-yn-3-amine?
The canonical SMILES for N-[1-(4-fluorophenyl)pentyl]hex-1-yn-3-amine is C#CC(CCC)NC(CCCC)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)pentyl]hex-1-yn-3-amine?
The InChIKey is QYJUBDVNUQXEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN/c1-4-7-9-17(19-16(6-3)8-5-2)14-10-12-15(18)13-11-14/h3,10-13,16-17,19H,4-5,7-9H2,1-2H3.
What are the key properties of N-[1-(4-fluorophenyl)pentyl]hex-1-yn-3-amine?
N-[1-(4-fluorophenyl)pentyl]hex-1-yn-3-amine has a molecular weight of 261.38 g/mol, XLogP of 4.45, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)pentyl]hex-1-yn-3-amine is sourced from PubChem (CID 106226041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).