1-(5-fluoro-2-pyridinyl)-2,3-dimethylbutan-1-amine

C11H17FN2 — CID 130647256

IUPAC1-(5-fluoro-2-pyridinyl)-2,3-dimethylbutan-1-amine
SMILESCC(C)C(C)C(N)c1ccc(F)cn1
InChIInChI=1S/C11H17FN2/c1-7(2)8(3)11(13)10-5-4-9(12)6-14-10/h4-8,11H,13H2,1-3H3
InChIKeyUEEZCGJQMQPNHK-UHFFFAOYSA-N
MW196.27 g/mol
LogP2.51
Rot. Bonds3

About 1-(5-fluoro-2-pyridinyl)-2,3-dimethylbutan-1-amine

1-(5-fluoro-2-pyridinyl)-2,3-dimethylbutan-1-amine (PubChem CID 130647256) has the molecular formula C11H17FN2 and a molecular weight of 196.27 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)-2,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)-2,3-dimethylbutan-1-amine
PubChem CID130647256
Molecular FormulaC11H17FN2
Molecular Weight196.27 g/mol
Exact Mass196.14
IUPAC Name1-(5-fluoro-2-pyridinyl)-2,3-dimethylbutan-1-amine
SMILESCC(C)C(C)C(N)c1ccc(F)cn1
InChIInChI=1S/C11H17FN2/c1-7(2)8(3)11(13)10-5-4-9(12)6-14-10/h4-8,11H,13H2,1-3H3
InChIKeyUEEZCGJQMQPNHK-UHFFFAOYSA-N
XLogP2.51
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2S)-3,3-dimethylbutan-2-yl]-5-fluoropyridine
CID 59539521
N'-ethyl-1-(5-fluoro-2-pyridinyl)-N',2-dimethylpropane-1,3-diamine
CID 112586276
1-(5-fluoro-2-pyridinyl)-N',2-dimethyl-N'-(3-methylbutyl)propane-1,3-diamine
CID 112586326
2-(5-fluoro-2-pyridinyl)-4-methylpentan-3-ol
CID 83128846
3-(5-fluoro-2-pyridinyl)-4-methylpentan-2-ol
CID 63200803
1-(5-fluoro-2-pyridinyl)-2-methyl-3-piperidin-1-ylpropan-1-amine
CID 112586259
1-(5-fluoro-2-pyridinyl)-2-methyl-N',N'-bis(prop-2-enyl)propane-1,3-diamine
CID 112586299
1-(5-fluoro-2-pyridinyl)-N',2-dimethyl-N'-(2-methylsulfanylethyl)propane-1,3-diamine
CID 112664627
3-(3,5-dimethylpiperidin-1-yl)-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-amine
CID 115941117
N'-butyl-N'-ethyl-1-(5-fluoro-2-pyridinyl)-2-methylpropane-1,3-diamine
CID 112586264
6-[(1R)-1-amino-2-methylpropyl]pyridin-3-amine
CID 55218698
2,2-difluoro-N-[1-(5-fluoro-2-pyridinyl)ethyl]ethanamine
CID 83119275

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)-2,3-dimethylbutan-1-amine?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)-2,3-dimethylbutan-1-amine (CID 130647256) is 1-(5-fluoro-2-pyridinyl)-2,3-dimethylbutan-1-amine.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)-2,3-dimethylbutan-1-amine?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)-2,3-dimethylbutan-1-amine is CC(C)C(C)C(N)c1ccc(F)cn1.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)-2,3-dimethylbutan-1-amine?
The InChIKey is UEEZCGJQMQPNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2/c1-7(2)8(3)11(13)10-5-4-9(12)6-14-10/h4-8,11H,13H2,1-3H3.
What are the key properties of 1-(5-fluoro-2-pyridinyl)-2,3-dimethylbutan-1-amine?
1-(5-fluoro-2-pyridinyl)-2,3-dimethylbutan-1-amine has a molecular weight of 196.27 g/mol, XLogP of 2.51, 3 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)-2,3-dimethylbutan-1-amine is sourced from PubChem (CID 130647256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).