tert-butyl N-[4-[1-(5-fluoro-2-pyridinyl)propylamino]butan-2-yl]carbamate

C17H28FN3O2 — CID 103949133

IUPACtert-butyl N-[4-[1-(5-fluoro-2-pyridinyl)propylamino]butan-2-yl]carbamate
SMILESCCC(NCCC(C)NC(=O)OC(C)(C)C)c1ccc(F)cn1
InChIInChI=1S/C17H28FN3O2/c1-6-14(15-8-7-13(18)11-20-15)19-10-9-12(2)21-16(22)23-17(3,4)5/h7-8,11-12,14,19H,6,9-10H2,1-5H3,(H,21,22)
InChIKeyFVTUROBSPUCMLQ-UHFFFAOYSA-N
MW325.43 g/mol
LogP3.56
Rot. Bonds7

About tert-butyl N-[4-[1-(5-fluoro-2-pyridinyl)propylamino]butan-2-yl]carbamate

tert-butyl N-[4-[1-(5-fluoro-2-pyridinyl)propylamino]butan-2-yl]carbamate (PubChem CID 103949133) has the molecular formula C17H28FN3O2 and a molecular weight of 325.43 g/mol. Its IUPAC name is tert-butyl N-[4-[1-(5-fluoro-2-pyridinyl)propylamino]butan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[1-(5-fluoro-2-pyridinyl)propylamino]butan-2-yl]carbamate
PubChem CID103949133
Molecular FormulaC17H28FN3O2
Molecular Weight325.43 g/mol
Exact Mass325.22
IUPAC Nametert-butyl N-[4-[1-(5-fluoro-2-pyridinyl)propylamino]butan-2-yl]carbamate
SMILESCCC(NCCC(C)NC(=O)OC(C)(C)C)c1ccc(F)cn1
InChIInChI=1S/C17H28FN3O2/c1-6-14(15-8-7-13(18)11-20-15)19-10-9-12(2)21-16(22)23-17(3,4)5/h7-8,11-12,14,19H,6,9-10H2,1-5H3,(H,21,22)
InChIKeyFVTUROBSPUCMLQ-UHFFFAOYSA-N
XLogP3.56
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(E)-4-[1-(5-fluoro-2-pyridinyl)propylamino]but-2-enyl]carbamate
CID 107252920
tert-butyl N-[4-[1-(4-chlorophenyl)propylamino]butan-2-yl]carbamate
CID 107247097
tert-butyl N-[3-[1-(5-fluoro-2-pyridinyl)ethylamino]propyl]carbamate
CID 103894808
N-[1-(5-fluoro-2-pyridinyl)propyl]-3,3-dimethylbutan-1-amine
CID 113356846
2-[1-(5-fluoro-2-pyridinyl)propylamino]ethyl carbamate
CID 112583290
tert-butyl N-[1-(5-fluoro-2-pyridinyl)-1,3-dihydroxypropan-2-yl]carbamate
CID 155173285
tert-butyl N-[2,2-difluoro-3-[1-(5-fluoro-2-pyridinyl)ethylamino]propyl]carbamate
CID 104955582
3-[1-(5-fluoro-2-pyridinyl)propylamino]-N,N-dimethylpropanamide
CID 112583020
tert-butyl N-[4-[1-(2-fluorophenyl)ethylamino]butan-2-yl]carbamate
CID 103901716
2-[1-(5-fluoro-2-pyridinyl)propylamino]ethanesulfonamide
CID 112582959
tert-butyl N-[4-[1-(2-fluoro-4-hydroxyphenyl)ethylamino]butan-2-yl]carbamate
CID 107715517
N-ethyl-2-[1-(5-fluoro-2-pyridinyl)propylamino]acetamide
CID 112582962

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[1-(5-fluoro-2-pyridinyl)propylamino]butan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[4-[1-(5-fluoro-2-pyridinyl)propylamino]butan-2-yl]carbamate (CID 103949133) is tert-butyl N-[4-[1-(5-fluoro-2-pyridinyl)propylamino]butan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[1-(5-fluoro-2-pyridinyl)propylamino]butan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-[1-(5-fluoro-2-pyridinyl)propylamino]butan-2-yl]carbamate is CCC(NCCC(C)NC(=O)OC(C)(C)C)c1ccc(F)cn1.
What is the InChIKey of tert-butyl N-[4-[1-(5-fluoro-2-pyridinyl)propylamino]butan-2-yl]carbamate?
The InChIKey is FVTUROBSPUCMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FN3O2/c1-6-14(15-8-7-13(18)11-20-15)19-10-9-12(2)21-16(22)23-17(3,4)5/h7-8,11-12,14,19H,6,9-10H2,1-5H3,(H,21,22).
What are the key properties of tert-butyl N-[4-[1-(5-fluoro-2-pyridinyl)propylamino]butan-2-yl]carbamate?
tert-butyl N-[4-[1-(5-fluoro-2-pyridinyl)propylamino]butan-2-yl]carbamate has a molecular weight of 325.43 g/mol, XLogP of 3.56, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[1-(5-fluoro-2-pyridinyl)propylamino]butan-2-yl]carbamate is sourced from PubChem (CID 103949133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).