3,5-difluoro-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine

C13H20F2N2 — CID 102913974

IUPAC3,5-difluoro-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine
SMILESCC(C)C(CNc1ncc(F)cc1F)C(C)C
InChIInChI=1S/C13H20F2N2/c1-8(2)11(9(3)4)7-17-13-12(15)5-10(14)6-16-13/h5-6,8-9,11H,7H2,1-4H3,(H,16,17)
InChIKeyNPMCKQCDSUUHGB-UHFFFAOYSA-N
MW242.31 g/mol
LogP3.70
Rot. Bonds5

About 3,5-difluoro-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine

3,5-difluoro-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine (PubChem CID 102913974) has the molecular formula C13H20F2N2 and a molecular weight of 242.31 g/mol. Its IUPAC name is 3,5-difluoro-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine.

Molecular Properties

Compound Name3,5-difluoro-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine
PubChem CID102913974
Molecular FormulaC13H20F2N2
Molecular Weight242.31 g/mol
Exact Mass242.16
IUPAC Name3,5-difluoro-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine
SMILESCC(C)C(CNc1ncc(F)cc1F)C(C)C
InChIInChI=1S/C13H20F2N2/c1-8(2)11(9(3)4)7-17-13-12(15)5-10(14)6-16-13/h5-6,8-9,11H,7H2,1-4H3,(H,16,17)
InChIKeyNPMCKQCDSUUHGB-UHFFFAOYSA-N
XLogP3.70
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(aminomethyl)-5-fluoro-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine
CID 114035468
N-(3,5-difluoro-2-pyridinyl)-N',2-dimethylpropane-1,3-diamine
CID 112676237
3,5-difluoro-N-(2-methyl-3-methylsulfanylpropyl)pyridin-2-amine
CID 112675888
1-[(3,5-difluoro-2-pyridinyl)amino]-4,4-dimethylpentan-2-ol
CID 107153237
1-N-(3,5-difluoro-2-pyridinyl)pentane-1,4-diamine
CID 106127704
N-(3,3-difluoropropyl)-3,5-difluoropyridin-2-amine
CID 127013338
3,5-difluoro-N-(2-methylprop-2-enyl)pyridin-2-amine
CID 114617532
3,5-difluoro-N-(4-propan-2-yloxybutyl)pyridin-2-amine
CID 106012540
3,5-difluoro-N-[2-(3-methylbutoxy)ethyl]pyridin-2-amine
CID 112675793
1-N-(5-chloro-3-fluoro-2-pyridinyl)-3-methylbutane-1,2-diamine
CID 79728261
N-(3-chloropropyl)-3,5-difluoropyridin-2-amine
CID 112676550
2-N-(3,5-difluoro-2-pyridinyl)-2,3-dimethylbutane-1,2-diamine
CID 112676247

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine?
The IUPAC name of 3,5-difluoro-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine (CID 102913974) is 3,5-difluoro-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine.
What is the SMILES notation for 3,5-difluoro-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine?
The canonical SMILES for 3,5-difluoro-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine is CC(C)C(CNc1ncc(F)cc1F)C(C)C.
What is the InChIKey of 3,5-difluoro-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine?
The InChIKey is NPMCKQCDSUUHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N2/c1-8(2)11(9(3)4)7-17-13-12(15)5-10(14)6-16-13/h5-6,8-9,11H,7H2,1-4H3,(H,16,17).
What are the key properties of 3,5-difluoro-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine?
3,5-difluoro-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine has a molecular weight of 242.31 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine is sourced from PubChem (CID 102913974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).