tert-butyl N-[3-[1-(5-fluoro-2-pyridinyl)ethylamino]propyl]carbamate

C15H24FN3O2 — CID 103894808

IUPACtert-butyl N-[3-[1-(5-fluoro-2-pyridinyl)ethylamino]propyl]carbamate
SMILESCC(NCCCNC(=O)OC(C)(C)C)c1ccc(F)cn1
InChIInChI=1S/C15H24FN3O2/c1-11(13-7-6-12(16)10-19-13)17-8-5-9-18-14(20)21-15(2,3)4/h6-7,10-11,17H,5,8-9H2,1-4H3,(H,18,20)
InChIKeyFIMDBFQQCRPAJL-UHFFFAOYSA-N
MW297.37 g/mol
LogP2.79
Rot. Bonds6

About tert-butyl N-[3-[1-(5-fluoro-2-pyridinyl)ethylamino]propyl]carbamate

tert-butyl N-[3-[1-(5-fluoro-2-pyridinyl)ethylamino]propyl]carbamate (PubChem CID 103894808) has the molecular formula C15H24FN3O2 and a molecular weight of 297.37 g/mol. Its IUPAC name is tert-butyl N-[3-[1-(5-fluoro-2-pyridinyl)ethylamino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[1-(5-fluoro-2-pyridinyl)ethylamino]propyl]carbamate
PubChem CID103894808
Molecular FormulaC15H24FN3O2
Molecular Weight297.37 g/mol
Exact Mass297.19
IUPAC Nametert-butyl N-[3-[1-(5-fluoro-2-pyridinyl)ethylamino]propyl]carbamate
SMILESCC(NCCCNC(=O)OC(C)(C)C)c1ccc(F)cn1
InChIInChI=1S/C15H24FN3O2/c1-11(13-7-6-12(16)10-19-13)17-8-5-9-18-14(20)21-15(2,3)4/h6-7,10-11,17H,5,8-9H2,1-4H3,(H,18,20)
InChIKeyFIMDBFQQCRPAJL-UHFFFAOYSA-N
XLogP2.79
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2,2-difluoro-3-[1-(5-fluoro-2-pyridinyl)ethylamino]propyl]carbamate
CID 104955582
3-[1-(5-fluoro-2-pyridinyl)ethylamino]propan-1-ol
CID 83117272
tert-butyl N-cyclopropyl-N-[2-[1-(5-fluoro-2-pyridinyl)ethylamino]ethyl]carbamate
CID 103894803
tert-butyl N-[3-[(6-fluoro-3-pyridinyl)amino]propyl]carbamate
CID 107095376
tert-butyl N-[2-[(5-fluoro-2-pyridinyl)amino]ethyl]carbamate
CID 114518182
tert-butyl N-[(E)-4-[1-(5-fluoro-2-pyridinyl)propylamino]but-2-enyl]carbamate
CID 107252920
tert-butyl N-[4-[1-(5-fluoro-2-pyridinyl)propylamino]butan-2-yl]carbamate
CID 103949133
3-[1-(5-fluoro-2-pyridinyl)ethylamino]-2,2-dimethylpropanamide
CID 103917149
tert-butyl N-[3-[1-(5-bromo-2-fluorophenyl)ethylamino]propyl]carbamate
CID 103781125
tert-butyl N-[3-[1-(1H-1,2,4-triazol-5-yl)ethylamino]propyl]carbamate
CID 106282437
tert-butyl N-[1-(5-fluoro-2-pyridinyl)-1,3-dihydroxypropan-2-yl]carbamate
CID 155173285
tert-butyl N-[3-[1-[4-(dimethylamino)phenyl]ethylamino]propyl]carbamate
CID 103781090

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[1-(5-fluoro-2-pyridinyl)ethylamino]propyl]carbamate?
The IUPAC name of tert-butyl N-[3-[1-(5-fluoro-2-pyridinyl)ethylamino]propyl]carbamate (CID 103894808) is tert-butyl N-[3-[1-(5-fluoro-2-pyridinyl)ethylamino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[1-(5-fluoro-2-pyridinyl)ethylamino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[1-(5-fluoro-2-pyridinyl)ethylamino]propyl]carbamate is CC(NCCCNC(=O)OC(C)(C)C)c1ccc(F)cn1.
What is the InChIKey of tert-butyl N-[3-[1-(5-fluoro-2-pyridinyl)ethylamino]propyl]carbamate?
The InChIKey is FIMDBFQQCRPAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3O2/c1-11(13-7-6-12(16)10-19-13)17-8-5-9-18-14(20)21-15(2,3)4/h6-7,10-11,17H,5,8-9H2,1-4H3,(H,18,20).
What are the key properties of tert-butyl N-[3-[1-(5-fluoro-2-pyridinyl)ethylamino]propyl]carbamate?
tert-butyl N-[3-[1-(5-fluoro-2-pyridinyl)ethylamino]propyl]carbamate has a molecular weight of 297.37 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[1-(5-fluoro-2-pyridinyl)ethylamino]propyl]carbamate is sourced from PubChem (CID 103894808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).