N-[(5-fluoro-2-pyridinyl)methyl]tridecan-6-amine

C19H33FN2 — CID 134254939

IUPACN-[(5-fluoro-2-pyridinyl)methyl]tridecan-6-amine
SMILESCCCCCCCC(CCCCC)NCc1ccc(F)cn1
InChIInChI=1S/C19H33FN2/c1-3-5-7-8-10-12-18(11-9-6-4-2)22-16-19-14-13-17(20)15-21-19/h13-15,18,22H,3-12,16H2,1-2H3
InChIKeyVYKWYUCNOWGDME-UHFFFAOYSA-N
MW308.48 g/mol
LogP5.62
Rot. Bonds13

About N-[(5-fluoro-2-pyridinyl)methyl]tridecan-6-amine

N-[(5-fluoro-2-pyridinyl)methyl]tridecan-6-amine (PubChem CID 134254939) has the molecular formula C19H33FN2 and a molecular weight of 308.48 g/mol. Its IUPAC name is N-[(5-fluoro-2-pyridinyl)methyl]tridecan-6-amine.

Molecular Properties

Compound NameN-[(5-fluoro-2-pyridinyl)methyl]tridecan-6-amine
PubChem CID134254939
Molecular FormulaC19H33FN2
Molecular Weight308.48 g/mol
Exact Mass308.26
IUPAC NameN-[(5-fluoro-2-pyridinyl)methyl]tridecan-6-amine
SMILESCCCCCCCC(CCCCC)NCc1ccc(F)cn1
InChIInChI=1S/C19H33FN2/c1-3-5-7-8-10-12-18(11-9-6-4-2)22-16-19-14-13-17(20)15-21-19/h13-15,18,22H,3-12,16H2,1-2H3
InChIKeyVYKWYUCNOWGDME-UHFFFAOYSA-N
XLogP5.62
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.48
LogP ≤ 55.62
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-fluoro-2-pyridinyl)-N-methyldecan-1-amine
CID 79712241
1-(5-fluoro-2-pyridinyl)tridecan-1-amine
CID 79705681
N-[(5-chloro-2-pyridinyl)methyl]heptan-2-amine
CID 115906670
N-[(2-bromo-5-fluorophenyl)methyl]undecan-6-amine
CID 63452545
N-[(4-fluorophenyl)methyl]octan-4-amine
CID 114138071
1-(5-ethyl-2-pyridinyl)-N-methyldecan-2-amine
CID 105014407
1-(5-fluoro-2-pyridinyl)-N-propan-2-yldecan-1-amine
CID 79706841
N-benzyltridecan-6-amine
CID 166644944
N-[(2-fluorophenyl)methyl]undecan-6-amine
CID 43763687
1-(5-bromo-2-pyridinyl)-N-propylnonan-2-amine
CID 105036225
N-[(1-methyl-1,2,4-triazol-3-yl)methyl]undecan-6-amine
CID 103907121
1-(5-bromo-2-pyridinyl)-N-methylheptan-2-amine
CID 105036421

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2-pyridinyl)methyl]tridecan-6-amine?
The IUPAC name of N-[(5-fluoro-2-pyridinyl)methyl]tridecan-6-amine (CID 134254939) is N-[(5-fluoro-2-pyridinyl)methyl]tridecan-6-amine.
What is the SMILES notation for N-[(5-fluoro-2-pyridinyl)methyl]tridecan-6-amine?
The canonical SMILES for N-[(5-fluoro-2-pyridinyl)methyl]tridecan-6-amine is CCCCCCCC(CCCCC)NCc1ccc(F)cn1.
What is the InChIKey of N-[(5-fluoro-2-pyridinyl)methyl]tridecan-6-amine?
The InChIKey is VYKWYUCNOWGDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33FN2/c1-3-5-7-8-10-12-18(11-9-6-4-2)22-16-19-14-13-17(20)15-21-19/h13-15,18,22H,3-12,16H2,1-2H3.
What are the key properties of N-[(5-fluoro-2-pyridinyl)methyl]tridecan-6-amine?
N-[(5-fluoro-2-pyridinyl)methyl]tridecan-6-amine has a molecular weight of 308.48 g/mol, XLogP of 5.62, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2-pyridinyl)methyl]tridecan-6-amine is sourced from PubChem (CID 134254939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).