1-N-(3,5-difluoro-2-pyridinyl)pentane-1,4-diamine

C10H15F2N3 — CID 106127704

IUPAC1-N-(3,5-difluoro-2-pyridinyl)pentane-1,4-diamine
SMILESCC(N)CCCNc1ncc(F)cc1F
InChIInChI=1S/C10H15F2N3/c1-7(13)3-2-4-14-10-9(12)5-8(11)6-15-10/h5-7H,2-4,13H2,1H3,(H,14,15)
InChIKeyYWTUTAQVKWOUQZ-UHFFFAOYSA-N
MW215.25 g/mol
LogP1.90
Rot. Bonds5

About 1-N-(3,5-difluoro-2-pyridinyl)pentane-1,4-diamine

1-N-(3,5-difluoro-2-pyridinyl)pentane-1,4-diamine (PubChem CID 106127704) has the molecular formula C10H15F2N3 and a molecular weight of 215.25 g/mol. Its IUPAC name is 1-N-(3,5-difluoro-2-pyridinyl)pentane-1,4-diamine.

Molecular Properties

Compound Name1-N-(3,5-difluoro-2-pyridinyl)pentane-1,4-diamine
PubChem CID106127704
Molecular FormulaC10H15F2N3
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name1-N-(3,5-difluoro-2-pyridinyl)pentane-1,4-diamine
SMILESCC(N)CCCNc1ncc(F)cc1F
InChIInChI=1S/C10H15F2N3/c1-7(13)3-2-4-14-10-9(12)5-8(11)6-15-10/h5-7H,2-4,13H2,1H3,(H,14,15)
InChIKeyYWTUTAQVKWOUQZ-UHFFFAOYSA-N
XLogP1.90
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-chloropropyl)-3,5-difluoropyridin-2-amine
CID 112676550
3,5-difluoro-N-(4-propan-2-yloxybutyl)pyridin-2-amine
CID 106012540
N-(3,3-difluoropropyl)-3,5-difluoropyridin-2-amine
CID 127013338
3,5-difluoro-N-[2-(3-methylbutoxy)ethyl]pyridin-2-amine
CID 112675793
1-N-(2,4-difluorophenyl)pentane-1,4-diamine
CID 115203586
3,5-difluoro-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine
CID 102913974
1-N-(5-bromo-3-methyl-2-pyridinyl)pentane-1,4-diamine
CID 106127370
N-(3-chloro-4-methoxybutyl)-3,5-difluoropyridin-2-amine
CID 106243313
N-(3,5-difluoro-2-pyridinyl)-N',2-dimethylpropane-1,3-diamine
CID 112676237
2-[3-[(3,5-difluoro-2-pyridinyl)amino]propoxy]ethanol
CID 106306945
2-[(3,5-difluoro-2-pyridinyl)amino]-N-methylethanesulfonamide
CID 106337617
3,5-difluoro-N-(2-methyl-3-methylsulfanylpropyl)pyridin-2-amine
CID 112675888

Frequently Asked Questions

What is the IUPAC name of 1-N-(3,5-difluoro-2-pyridinyl)pentane-1,4-diamine?
The IUPAC name of 1-N-(3,5-difluoro-2-pyridinyl)pentane-1,4-diamine (CID 106127704) is 1-N-(3,5-difluoro-2-pyridinyl)pentane-1,4-diamine.
What is the SMILES notation for 1-N-(3,5-difluoro-2-pyridinyl)pentane-1,4-diamine?
The canonical SMILES for 1-N-(3,5-difluoro-2-pyridinyl)pentane-1,4-diamine is CC(N)CCCNc1ncc(F)cc1F.
What is the InChIKey of 1-N-(3,5-difluoro-2-pyridinyl)pentane-1,4-diamine?
The InChIKey is YWTUTAQVKWOUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2N3/c1-7(13)3-2-4-14-10-9(12)5-8(11)6-15-10/h5-7H,2-4,13H2,1H3,(H,14,15).
What are the key properties of 1-N-(3,5-difluoro-2-pyridinyl)pentane-1,4-diamine?
1-N-(3,5-difluoro-2-pyridinyl)pentane-1,4-diamine has a molecular weight of 215.25 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3,5-difluoro-2-pyridinyl)pentane-1,4-diamine is sourced from PubChem (CID 106127704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).