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

C12H19FN2 — CID 104953752

IUPACN-[(5-fluoro-3-pyridinyl)methyl]-2,3-dimethylbutan-1-amine
SMILESCC(C)C(C)CNCc1cncc(F)c1
InChIInChI=1S/C12H19FN2/c1-9(2)10(3)5-14-6-11-4-12(13)8-15-7-11/h4,7-10,14H,5-6H2,1-3H3
InChIKeyFAUZUMYKSHZGMC-UHFFFAOYSA-N
MW210.30 g/mol
LogP2.60
Rot. Bonds5

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

N-[(5-fluoro-3-pyridinyl)methyl]-2,3-dimethylbutan-1-amine (PubChem CID 104953752) has the molecular formula C12H19FN2 and a molecular weight of 210.30 g/mol. Its IUPAC name is N-[(5-fluoro-3-pyridinyl)methyl]-2,3-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-[(5-fluoro-3-pyridinyl)methyl]-2,3-dimethylbutan-1-amine
PubChem CID104953752
Molecular FormulaC12H19FN2
Molecular Weight210.30 g/mol
Exact Mass210.15
IUPAC NameN-[(5-fluoro-3-pyridinyl)methyl]-2,3-dimethylbutan-1-amine
SMILESCC(C)C(C)CNCc1cncc(F)c1
InChIInChI=1S/C12H19FN2/c1-9(2)10(3)5-14-6-11-4-12(13)8-15-7-11/h4,7-10,14H,5-6H2,1-3H3
InChIKeyFAUZUMYKSHZGMC-UHFFFAOYSA-N
XLogP2.60
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(5-fluoro-3-pyridinyl)methylamino]pentan-2-ol
CID 104953695
N-[(5-fluoro-3-pyridinyl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 104953477
N-[(5-fluoro-3-pyridinyl)methyl]pentan-2-amine
CID 104953314
N-[(5-fluoro-3-pyridinyl)methyl]-2-methylsulfinylethanamine
CID 104953724
N-[(5-fluoro-3-pyridinyl)methyl]-3-methylbut-2-en-1-amine
CID 103527914
2-N-[(5-fluoro-3-pyridinyl)methyl]-1-N-(2-methoxyethyl)propane-1,2-diamine
CID 113452860
1-N-[(5-fluoro-3-pyridinyl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 104953350
N-[2-[(5-fluoro-3-pyridinyl)methylamino]ethyl]acetamide
CID 104953358
1-(5-fluoro-3-pyridinyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 104953648
1-(5-fluoro-3-pyridinyl)propan-2-amine
CID 81020858
N-[(3,5-difluorophenyl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine
CID 102905457
1-(5-fluoro-3-pyridinyl)-N-[(1-propylcyclopropyl)methyl]methanamine
CID 104953831

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-3-pyridinyl)methyl]-2,3-dimethylbutan-1-amine?
The IUPAC name of N-[(5-fluoro-3-pyridinyl)methyl]-2,3-dimethylbutan-1-amine (CID 104953752) is N-[(5-fluoro-3-pyridinyl)methyl]-2,3-dimethylbutan-1-amine.
What is the SMILES notation for N-[(5-fluoro-3-pyridinyl)methyl]-2,3-dimethylbutan-1-amine?
The canonical SMILES for N-[(5-fluoro-3-pyridinyl)methyl]-2,3-dimethylbutan-1-amine is CC(C)C(C)CNCc1cncc(F)c1.
What is the InChIKey of N-[(5-fluoro-3-pyridinyl)methyl]-2,3-dimethylbutan-1-amine?
The InChIKey is FAUZUMYKSHZGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2/c1-9(2)10(3)5-14-6-11-4-12(13)8-15-7-11/h4,7-10,14H,5-6H2,1-3H3.
What are the key properties of N-[(5-fluoro-3-pyridinyl)methyl]-2,3-dimethylbutan-1-amine?
N-[(5-fluoro-3-pyridinyl)methyl]-2,3-dimethylbutan-1-amine has a molecular weight of 210.30 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-3-pyridinyl)methyl]-2,3-dimethylbutan-1-amine is sourced from PubChem (CID 104953752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).