1-(5-fluoro-2-pyridinyl)tridecan-1-amine

C18H31FN2 — CID 79705681

IUPAC1-(5-fluoro-2-pyridinyl)tridecan-1-amine
SMILESCCCCCCCCCCCCC(N)c1ccc(F)cn1
InChIInChI=1S/C18H31FN2/c1-2-3-4-5-6-7-8-9-10-11-12-17(20)18-14-13-16(19)15-21-18/h13-15,17H,2-12,20H2,1H3
InChIKeyVGSODQBPVJUNFB-UHFFFAOYSA-N
MW294.46 g/mol
LogP5.53
Rot. Bonds12

About 1-(5-fluoro-2-pyridinyl)tridecan-1-amine

1-(5-fluoro-2-pyridinyl)tridecan-1-amine (PubChem CID 79705681) has the molecular formula C18H31FN2 and a molecular weight of 294.46 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)tridecan-1-amine.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)tridecan-1-amine
PubChem CID79705681
Molecular FormulaC18H31FN2
Molecular Weight294.46 g/mol
Exact Mass294.25
IUPAC Name1-(5-fluoro-2-pyridinyl)tridecan-1-amine
SMILESCCCCCCCCCCCCC(N)c1ccc(F)cn1
InChIInChI=1S/C18H31FN2/c1-2-3-4-5-6-7-8-9-10-11-12-17(20)18-14-13-16(19)15-21-18/h13-15,17H,2-12,20H2,1H3
InChIKeyVGSODQBPVJUNFB-UHFFFAOYSA-N
XLogP5.53
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.46
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[5-(trifluoromethyl)-2-pyridinyl]decan-1-amine
CID 105124478
1-[5-(trifluoromethyl)-2-pyridinyl]octan-1-amine
CID 105125097
1-(5-fluoro-2-pyridinyl)-N-methyldecan-1-amine
CID 79712241
1-(5-fluoro-2-pyridinyl)-N-propan-2-yldecan-1-amine
CID 79706841
(1S)-1-(5-methyl-2-pyridinyl)pentan-1-amine
CID 55275982
1-(5-bromo-2-pyridinyl)pentan-1-amine
CID 70087058
2-ethoxy-1-(5-fluoro-2-pyridinyl)ethanamine
CID 68847370
1-(5-methylpyrazin-2-yl)octan-1-amine
CID 105124976
1-(5-fluoro-2-pyridinyl)hex-4-yn-1-amine
CID 104806764
N'-butan-2-yl-N'-ethyl-1-(5-fluoro-2-pyridinyl)propane-1,3-diamine
CID 83126144
1-(5-fluoro-2-pyridinyl)-N'-methyl-N'-pentan-3-ylpropane-1,3-diamine
CID 83126711
1-pyrimidin-4-yldecan-1-amine
CID 63989976

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)tridecan-1-amine?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)tridecan-1-amine (CID 79705681) is 1-(5-fluoro-2-pyridinyl)tridecan-1-amine.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)tridecan-1-amine?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)tridecan-1-amine is CCCCCCCCCCCCC(N)c1ccc(F)cn1.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)tridecan-1-amine?
The InChIKey is VGSODQBPVJUNFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31FN2/c1-2-3-4-5-6-7-8-9-10-11-12-17(20)18-14-13-16(19)15-21-18/h13-15,17H,2-12,20H2,1H3.
What are the key properties of 1-(5-fluoro-2-pyridinyl)tridecan-1-amine?
1-(5-fluoro-2-pyridinyl)tridecan-1-amine has a molecular weight of 294.46 g/mol, XLogP of 5.53, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-pyridinyl)tridecan-1-amine is sourced from PubChem (CID 79705681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).