2-N-(3,5-difluoro-2-pyridinyl)-2,3-dimethylbutane-1,2-diamine

C11H17F2N3 — CID 112676247

IUPAC2-N-(3,5-difluoro-2-pyridinyl)-2,3-dimethylbutane-1,2-diamine
SMILESCC(C)C(C)(CN)Nc1ncc(F)cc1F
InChIInChI=1S/C11H17F2N3/c1-7(2)11(3,6-14)16-10-9(13)4-8(12)5-15-10/h4-5,7H,6,14H2,1-3H3,(H,15,16)
InChIKeyUFRILRKPPRJASD-UHFFFAOYSA-N
MW229.27 g/mol
LogP2.15
Rot. Bonds4

About 2-N-(3,5-difluoro-2-pyridinyl)-2,3-dimethylbutane-1,2-diamine

2-N-(3,5-difluoro-2-pyridinyl)-2,3-dimethylbutane-1,2-diamine (PubChem CID 112676247) has the molecular formula C11H17F2N3 and a molecular weight of 229.27 g/mol. Its IUPAC name is 2-N-(3,5-difluoro-2-pyridinyl)-2,3-dimethylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-(3,5-difluoro-2-pyridinyl)-2,3-dimethylbutane-1,2-diamine
PubChem CID112676247
Molecular FormulaC11H17F2N3
Molecular Weight229.27 g/mol
Exact Mass229.14
IUPAC Name2-N-(3,5-difluoro-2-pyridinyl)-2,3-dimethylbutane-1,2-diamine
SMILESCC(C)C(C)(CN)Nc1ncc(F)cc1F
InChIInChI=1S/C11H17F2N3/c1-7(2)11(3,6-14)16-10-9(13)4-8(12)5-15-10/h4-5,7H,6,14H2,1-3H3,(H,15,16)
InChIKeyUFRILRKPPRJASD-UHFFFAOYSA-N
XLogP2.15
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-(5-chloro-3-fluoro-2-pyridinyl)-2,3-dimethylbutane-1,2-diamine
CID 115311005
2-N-(3,5-difluoro-2-pyridinyl)-2-ethylbutane-1,2-diamine
CID 112676161
2-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,3-dimethylbutane-1,2-diamine
CID 115310843
3,5-difluoro-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine
CID 102913974
1-N-(3,5-difluoro-2-pyridinyl)pentane-1,4-diamine
CID 106127704
2-N-(5-chloro-3-fluoro-2-pyridinyl)-2,4-dimethylpentane-1,2-diamine
CID 115310284
N-(3,5-difluoro-2-pyridinyl)-N',2-dimethylpropane-1,3-diamine
CID 112676237
3,5-difluoro-N-(4-propan-2-yloxybutyl)pyridin-2-amine
CID 106012540
3,5-difluoro-N-(2-methyl-3-methylsulfanylpropyl)pyridin-2-amine
CID 112675888
2-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2,3-dimethylbutane-1,2-diamine
CID 113284029
1-[(3,5-difluoro-2-pyridinyl)amino]-4,4-dimethylpentan-2-ol
CID 107153237
2-N-(5-chloro-3-fluoro-2-pyridinyl)-2-methylbutane-1,2-diamine
CID 79734278

Frequently Asked Questions

What is the IUPAC name of 2-N-(3,5-difluoro-2-pyridinyl)-2,3-dimethylbutane-1,2-diamine?
The IUPAC name of 2-N-(3,5-difluoro-2-pyridinyl)-2,3-dimethylbutane-1,2-diamine (CID 112676247) is 2-N-(3,5-difluoro-2-pyridinyl)-2,3-dimethylbutane-1,2-diamine.
What is the SMILES notation for 2-N-(3,5-difluoro-2-pyridinyl)-2,3-dimethylbutane-1,2-diamine?
The canonical SMILES for 2-N-(3,5-difluoro-2-pyridinyl)-2,3-dimethylbutane-1,2-diamine is CC(C)C(C)(CN)Nc1ncc(F)cc1F.
What is the InChIKey of 2-N-(3,5-difluoro-2-pyridinyl)-2,3-dimethylbutane-1,2-diamine?
The InChIKey is UFRILRKPPRJASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2N3/c1-7(2)11(3,6-14)16-10-9(13)4-8(12)5-15-10/h4-5,7H,6,14H2,1-3H3,(H,15,16).
What are the key properties of 2-N-(3,5-difluoro-2-pyridinyl)-2,3-dimethylbutane-1,2-diamine?
2-N-(3,5-difluoro-2-pyridinyl)-2,3-dimethylbutane-1,2-diamine has a molecular weight of 229.27 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3,5-difluoro-2-pyridinyl)-2,3-dimethylbutane-1,2-diamine is sourced from PubChem (CID 112676247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).