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

C11H17FN2 — CID 63196849

IUPAC1-(5-fluoro-2-pyridinyl)-3,3-dimethylbutan-2-amine
SMILESCC(C)(C)C(N)Cc1ccc(F)cn1
InChIInChI=1S/C11H17FN2/c1-11(2,3)10(13)6-9-5-4-8(12)7-14-9/h4-5,7,10H,6,13H2,1-3H3
InChIKeyZWTSUCNDPUQRTN-UHFFFAOYSA-N
MW196.27 g/mol
LogP2.14
Rot. Bonds2

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

1-(5-fluoro-2-pyridinyl)-3,3-dimethylbutan-2-amine (PubChem CID 63196849) has the molecular formula C11H17FN2 and a molecular weight of 196.27 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)-3,3-dimethylbutan-2-amine.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)-3,3-dimethylbutan-2-amine
PubChem CID63196849
Molecular FormulaC11H17FN2
Molecular Weight196.27 g/mol
Exact Mass196.14
IUPAC Name1-(5-fluoro-2-pyridinyl)-3,3-dimethylbutan-2-amine
SMILESCC(C)(C)C(N)Cc1ccc(F)cn1
InChIInChI=1S/C11H17FN2/c1-11(2,3)10(13)6-9-5-4-8(12)7-14-9/h4-5,7,10H,6,13H2,1-3H3
InChIKeyZWTSUCNDPUQRTN-UHFFFAOYSA-N
XLogP2.14
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)-3,3-dimethylbutan-2-amine?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)-3,3-dimethylbutan-2-amine (CID 63196849) is 1-(5-fluoro-2-pyridinyl)-3,3-dimethylbutan-2-amine.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)-3,3-dimethylbutan-2-amine?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)-3,3-dimethylbutan-2-amine is CC(C)(C)C(N)Cc1ccc(F)cn1.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)-3,3-dimethylbutan-2-amine?
The InChIKey is ZWTSUCNDPUQRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2/c1-11(2,3)10(13)6-9-5-4-8(12)7-14-9/h4-5,7,10H,6,13H2,1-3H3.
What are the key properties of 1-(5-fluoro-2-pyridinyl)-3,3-dimethylbutan-2-amine?
1-(5-fluoro-2-pyridinyl)-3,3-dimethylbutan-2-amine has a molecular weight of 196.27 g/mol, XLogP of 2.14, 2 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)-3,3-dimethylbutan-2-amine is sourced from PubChem (CID 63196849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).