N-[1-(5-fluoro-2-pyridinyl)propyl]-3,3-dimethylbutan-1-amine

C14H23FN2 — CID 113356846

IUPACN-[1-(5-fluoro-2-pyridinyl)propyl]-3,3-dimethylbutan-1-amine
SMILESCCC(NCCC(C)(C)C)c1ccc(F)cn1
InChIInChI=1S/C14H23FN2/c1-5-12(16-9-8-14(2,3)4)13-7-6-11(15)10-17-13/h6-7,10,12,16H,5,8-9H2,1-4H3
InChIKeyNFZSOXOKUIJJEU-UHFFFAOYSA-N
MW238.35 g/mol
LogP3.70
Rot. Bonds5

About N-[1-(5-fluoro-2-pyridinyl)propyl]-3,3-dimethylbutan-1-amine

N-[1-(5-fluoro-2-pyridinyl)propyl]-3,3-dimethylbutan-1-amine (PubChem CID 113356846) has the molecular formula C14H23FN2 and a molecular weight of 238.35 g/mol. Its IUPAC name is N-[1-(5-fluoro-2-pyridinyl)propyl]-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-[1-(5-fluoro-2-pyridinyl)propyl]-3,3-dimethylbutan-1-amine
PubChem CID113356846
Molecular FormulaC14H23FN2
Molecular Weight238.35 g/mol
Exact Mass238.18
IUPAC NameN-[1-(5-fluoro-2-pyridinyl)propyl]-3,3-dimethylbutan-1-amine
SMILESCCC(NCCC(C)(C)C)c1ccc(F)cn1
InChIInChI=1S/C14H23FN2/c1-5-12(16-9-8-14(2,3)4)13-7-6-11(15)10-17-13/h6-7,10,12,16H,5,8-9H2,1-4H3
InChIKeyNFZSOXOKUIJJEU-UHFFFAOYSA-N
XLogP3.70
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(5-fluoro-2-pyridinyl)propylamino]ethanesulfonamide
CID 112582959
N-[1-(5-fluoro-2-pyridinyl)propyl]but-2-yn-1-amine
CID 115975737
1-(5-fluoro-2-pyridinyl)-N-(3-methylsulfinylpropyl)propan-1-amine
CID 113356899
1-(5-fluoro-2-pyridinyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine
CID 106395927
N-(2,2-dimethoxyethyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine
CID 112583006
3-[1-(5-fluoro-2-pyridinyl)propylamino]-N,N-dimethylpropanamide
CID 112583020
2-[1-(5-fluoro-2-pyridinyl)propylamino]ethyl carbamate
CID 112583290
1-(5-fluoro-2-pyridinyl)-N-(2-pyrazol-1-ylethyl)propan-1-amine
CID 112583054
1-[1-(5-fluoro-2-pyridinyl)propylamino]-4-methoxy-2-methylbutan-2-ol
CID 103948352
N-[(1S)-1-(5-fluoro-2-pyridinyl)propyl]-2-methylpropane-2-sulfinamide
CID 142702173
2-tert-butyl-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline
CID 115938515
tert-butyl N-[4-[1-(5-fluoro-2-pyridinyl)propylamino]butan-2-yl]carbamate
CID 103949133

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-fluoro-2-pyridinyl)propyl]-3,3-dimethylbutan-1-amine?
The IUPAC name of N-[1-(5-fluoro-2-pyridinyl)propyl]-3,3-dimethylbutan-1-amine (CID 113356846) is N-[1-(5-fluoro-2-pyridinyl)propyl]-3,3-dimethylbutan-1-amine.
What is the SMILES notation for N-[1-(5-fluoro-2-pyridinyl)propyl]-3,3-dimethylbutan-1-amine?
The canonical SMILES for N-[1-(5-fluoro-2-pyridinyl)propyl]-3,3-dimethylbutan-1-amine is CCC(NCCC(C)(C)C)c1ccc(F)cn1.
What is the InChIKey of N-[1-(5-fluoro-2-pyridinyl)propyl]-3,3-dimethylbutan-1-amine?
The InChIKey is NFZSOXOKUIJJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2/c1-5-12(16-9-8-14(2,3)4)13-7-6-11(15)10-17-13/h6-7,10,12,16H,5,8-9H2,1-4H3.
What are the key properties of N-[1-(5-fluoro-2-pyridinyl)propyl]-3,3-dimethylbutan-1-amine?
N-[1-(5-fluoro-2-pyridinyl)propyl]-3,3-dimethylbutan-1-amine has a molecular weight of 238.35 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-fluoro-2-pyridinyl)propyl]-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 113356846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).