6-[4-(3,3-difluoropropylamino)butyl]-3-ethyl-N-methylpyridin-2-amine

C15H25F2N3 — CID 153342691

IUPAC6-[4-(3,3-difluoropropylamino)butyl]-3-ethyl-N-methylpyridin-2-amine
SMILESCCc1ccc(CCCCNCCC(F)F)nc1NC
InChIInChI=1S/C15H25F2N3/c1-3-12-7-8-13(20-15(12)18-2)6-4-5-10-19-11-9-14(16)17/h7-8,14,19H,3-6,9-11H2,1-2H3,(H,18,20)
InChIKeyHKAZORJHNVKMQW-UHFFFAOYSA-N
MW285.38 g/mol
LogP3.25
Rot. Bonds10

About 6-[4-(3,3-difluoropropylamino)butyl]-3-ethyl-N-methylpyridin-2-amine

6-[4-(3,3-difluoropropylamino)butyl]-3-ethyl-N-methylpyridin-2-amine (PubChem CID 153342691) has the molecular formula C15H25F2N3 and a molecular weight of 285.38 g/mol. Its IUPAC name is 6-[4-(3,3-difluoropropylamino)butyl]-3-ethyl-N-methylpyridin-2-amine.

Molecular Properties

Compound Name6-[4-(3,3-difluoropropylamino)butyl]-3-ethyl-N-methylpyridin-2-amine
PubChem CID153342691
Molecular FormulaC15H25F2N3
Molecular Weight285.38 g/mol
Exact Mass285.20
IUPAC Name6-[4-(3,3-difluoropropylamino)butyl]-3-ethyl-N-methylpyridin-2-amine
SMILESCCc1ccc(CCCCNCCC(F)F)nc1NC
InChIInChI=1S/C15H25F2N3/c1-3-12-7-8-13(20-15(12)18-2)6-4-5-10-19-11-9-14(16)17/h7-8,14,19H,3-6,9-11H2,1-2H3,(H,18,20)
InChIKeyHKAZORJHNVKMQW-UHFFFAOYSA-N
XLogP3.25
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 53.25
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

1-[4-[5-ethyl-6-(methylamino)-2-pyridinyl]butylamino]propan-2-ol
CID 176962785
ethane;N-[2-[4-[5-ethyl-6-(methylamino)-2-pyridinyl]butylamino]ethyl]acetamide
CID 153342726
3-ethyl-N-methyl-6-pentylpyridin-2-amine;1-fluoro-2-methoxyhexane
CID 176962147
methyl 4-[2,2-difluoroethyl-[4-[5-ethyl-6-(methylamino)-2-pyridinyl]butyl]amino]butanoate
CID 166106837
3-amino-5-[4-[5-ethyl-6-(methylamino)-2-pyridinyl]butoxy]pent-1-en-2-ol
CID 171832857
methyl 2-amino-4-[4-[5-ethyl-6-(methylamino)-2-pyridinyl]butyl-(2-methoxyethyl)amino]butanoate
CID 153342613
ethane;4-[4-[5-ethyl-6-(methylamino)-2-pyridinyl]butyl-(2-propoxyethyl)amino]-2-formamidobutanoic acid
CID 176962174
2-acetamido-4-[4-[5-ethyl-6-(methylamino)-2-pyridinyl]butyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]butanoic acid
CID 176962027
2-(diethylcarbamoylamino)-4-[4-[5-ethyl-6-(methylamino)-2-pyridinyl]butyl-(2-methoxyethyl)amino]butanoic acid
CID 176963005
7-[5-ethyl-6-(methylamino)-2-pyridinyl]-1-(7-fluoroquinolin-3-yl)hept-1-en-3-one
CID 123798988
4-[4-[5-ethyl-6-(methylamino)-2-pyridinyl]butyl-(2-methoxyethyl)amino]-2-[(2-ethyl-4,4,4-trifluorobutanoyl)amino]butanoic acid
CID 176962357
2-[(5-cyclopropyl-1,2-dihydropyrimidin-2-yl)amino]-4-[4-[5-ethyl-6-(methylamino)-2-pyridinyl]butyl-(2-methoxyethyl)amino]butanoic acid
CID 153342771

Frequently Asked Questions

What is the IUPAC name of 6-[4-(3,3-difluoropropylamino)butyl]-3-ethyl-N-methylpyridin-2-amine?
The IUPAC name of 6-[4-(3,3-difluoropropylamino)butyl]-3-ethyl-N-methylpyridin-2-amine (CID 153342691) is 6-[4-(3,3-difluoropropylamino)butyl]-3-ethyl-N-methylpyridin-2-amine.
What is the SMILES notation for 6-[4-(3,3-difluoropropylamino)butyl]-3-ethyl-N-methylpyridin-2-amine?
The canonical SMILES for 6-[4-(3,3-difluoropropylamino)butyl]-3-ethyl-N-methylpyridin-2-amine is CCc1ccc(CCCCNCCC(F)F)nc1NC.
What is the InChIKey of 6-[4-(3,3-difluoropropylamino)butyl]-3-ethyl-N-methylpyridin-2-amine?
The InChIKey is HKAZORJHNVKMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F2N3/c1-3-12-7-8-13(20-15(12)18-2)6-4-5-10-19-11-9-14(16)17/h7-8,14,19H,3-6,9-11H2,1-2H3,(H,18,20).
What are the key properties of 6-[4-(3,3-difluoropropylamino)butyl]-3-ethyl-N-methylpyridin-2-amine?
6-[4-(3,3-difluoropropylamino)butyl]-3-ethyl-N-methylpyridin-2-amine has a molecular weight of 285.38 g/mol, XLogP of 3.25, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(3,3-difluoropropylamino)butyl]-3-ethyl-N-methylpyridin-2-amine is sourced from PubChem (CID 153342691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).