N-(5-fluoro-2-pyridinyl)-2,2-dimethylbutane-1,4-diamine

C11H18FN3 — CID 106142088

IUPACN-(5-fluoro-2-pyridinyl)-2,2-dimethylbutane-1,4-diamine
SMILESCC(C)(CCN)CNc1ccc(F)cn1
InChIInChI=1S/C11H18FN3/c1-11(2,5-6-13)8-15-10-4-3-9(12)7-14-10/h3-4,7H,5-6,8,13H2,1-2H3,(H,14,15)
InChIKeyZMLWCSRAQJRYKL-UHFFFAOYSA-N
MW211.28 g/mol
LogP2.01
Rot. Bonds5

About N-(5-fluoro-2-pyridinyl)-2,2-dimethylbutane-1,4-diamine

N-(5-fluoro-2-pyridinyl)-2,2-dimethylbutane-1,4-diamine (PubChem CID 106142088) has the molecular formula C11H18FN3 and a molecular weight of 211.28 g/mol. Its IUPAC name is N-(5-fluoro-2-pyridinyl)-2,2-dimethylbutane-1,4-diamine.

Molecular Properties

Compound NameN-(5-fluoro-2-pyridinyl)-2,2-dimethylbutane-1,4-diamine
PubChem CID106142088
Molecular FormulaC11H18FN3
Molecular Weight211.28 g/mol
Exact Mass211.15
IUPAC NameN-(5-fluoro-2-pyridinyl)-2,2-dimethylbutane-1,4-diamine
SMILESCC(C)(CCN)CNc1ccc(F)cn1
InChIInChI=1S/C11H18FN3/c1-11(2,5-6-13)8-15-10-4-3-9(12)7-14-10/h3-4,7H,5-6,8,13H2,1-2H3,(H,14,15)
InChIKeyZMLWCSRAQJRYKL-UHFFFAOYSA-N
XLogP2.01
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-methoxy-2-pyridinyl)-2,2-dimethylbutane-1,4-diamine
CID 106142213
N'-(5-chloro-2-pyridinyl)-2,2-dimethylpropane-1,3-diamine
CID 115366147
4-[(5-fluoro-2-pyridinyl)amino]-2-methylbutan-2-ol
CID 130561119
N-(5-fluoropyrimidin-2-yl)-2,2-dimethylpentane-1,5-diamine
CID 106142510
5-fluoro-N-(2-fluoroethyl)pyridin-2-amine
CID 130504146
2,2-dimethyl-N-[6-(trifluoromethyl)pyridazin-3-yl]butane-1,4-diamine
CID 106142025
5-fluoro-N-(2-methyl-2-thiophen-2-ylpropyl)pyridin-2-amine
CID 80528270
N-(5-bromo-4-methyl-2-pyridinyl)-2,2-dimethylbutane-1,4-diamine
CID 106142320
N-[3-(2-aminoethoxy)propyl]-5-fluoropyridin-2-amine
CID 106308279
3-[(5-fluoro-2-pyridinyl)amino]-3-methylpentan-1-ol
CID 106171523
N-(2,3-dimethylbutyl)-5-fluoropyridin-2-amine
CID 64597559
5-fluoro-N-(5-fluoro-2-pyridinyl)pyridin-2-amine
CID 135228039

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-pyridinyl)-2,2-dimethylbutane-1,4-diamine?
The IUPAC name of N-(5-fluoro-2-pyridinyl)-2,2-dimethylbutane-1,4-diamine (CID 106142088) is N-(5-fluoro-2-pyridinyl)-2,2-dimethylbutane-1,4-diamine.
What is the SMILES notation for N-(5-fluoro-2-pyridinyl)-2,2-dimethylbutane-1,4-diamine?
The canonical SMILES for N-(5-fluoro-2-pyridinyl)-2,2-dimethylbutane-1,4-diamine is CC(C)(CCN)CNc1ccc(F)cn1.
What is the InChIKey of N-(5-fluoro-2-pyridinyl)-2,2-dimethylbutane-1,4-diamine?
The InChIKey is ZMLWCSRAQJRYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN3/c1-11(2,5-6-13)8-15-10-4-3-9(12)7-14-10/h3-4,7H,5-6,8,13H2,1-2H3,(H,14,15).
What are the key properties of N-(5-fluoro-2-pyridinyl)-2,2-dimethylbutane-1,4-diamine?
N-(5-fluoro-2-pyridinyl)-2,2-dimethylbutane-1,4-diamine has a molecular weight of 211.28 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-pyridinyl)-2,2-dimethylbutane-1,4-diamine is sourced from PubChem (CID 106142088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).