3-ethyl-6-[4-[[(2R)-2-fluorobutyl]amino]butyl]-N-methyl-1,2-dihydropyridin-2-amine

C16H30FN3 — CID 176962601

IUPAC3-ethyl-6-[4-[[(2R)-2-fluorobutyl]amino]butyl]-N-methyl-1,2-dihydropyridin-2-amine
SMILESCCC1=CC=C(CCCCNC[C@H](F)CC)NC1NC
InChIInChI=1S/C16H30FN3/c1-4-13-9-10-15(20-16(13)18-3)8-6-7-11-19-12-14(17)5-2/h9-10,14,16,18-20H,4-8,11-12H2,1-3H3/t14-,16?/m1/s1
InChIKeyFQOKLIVIKYIJSB-IURRXHLWSA-N
MW283.44 g/mol
LogP2.86
Rot. Bonds10

About 3-ethyl-6-[4-[[(2R)-2-fluorobutyl]amino]butyl]-N-methyl-1,2-dihydropyridin-2-amine

3-ethyl-6-[4-[[(2R)-2-fluorobutyl]amino]butyl]-N-methyl-1,2-dihydropyridin-2-amine (PubChem CID 176962601) has the molecular formula C16H30FN3 and a molecular weight of 283.44 g/mol. Its IUPAC name is 3-ethyl-6-[4-[[(2R)-2-fluorobutyl]amino]butyl]-N-methyl-1,2-dihydropyridin-2-amine.

Molecular Properties

Compound Name3-ethyl-6-[4-[[(2R)-2-fluorobutyl]amino]butyl]-N-methyl-1,2-dihydropyridin-2-amine
PubChem CID176962601
Molecular FormulaC16H30FN3
Molecular Weight283.44 g/mol
Exact Mass283.24
IUPAC Name3-ethyl-6-[4-[[(2R)-2-fluorobutyl]amino]butyl]-N-methyl-1,2-dihydropyridin-2-amine
SMILESCCC1=CC=C(CCCCNC[C@H](F)CC)NC1NC
InChIInChI=1S/C16H30FN3/c1-4-13-9-10-15(20-16(13)18-3)8-6-7-11-19-12-14(17)5-2/h9-10,14,16,18-20H,4-8,11-12H2,1-3H3/t14-,16?/m1/s1
InChIKeyFQOKLIVIKYIJSB-IURRXHLWSA-N
XLogP2.86
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-[4-[[(2R)-2-fluorobutyl]amino]butyl]-N-methyl-1,2-dihydropyridin-2-amine?
The IUPAC name of 3-ethyl-6-[4-[[(2R)-2-fluorobutyl]amino]butyl]-N-methyl-1,2-dihydropyridin-2-amine (CID 176962601) is 3-ethyl-6-[4-[[(2R)-2-fluorobutyl]amino]butyl]-N-methyl-1,2-dihydropyridin-2-amine.
What is the SMILES notation for 3-ethyl-6-[4-[[(2R)-2-fluorobutyl]amino]butyl]-N-methyl-1,2-dihydropyridin-2-amine?
The canonical SMILES for 3-ethyl-6-[4-[[(2R)-2-fluorobutyl]amino]butyl]-N-methyl-1,2-dihydropyridin-2-amine is CCC1=CC=C(CCCCNC[C@H](F)CC)NC1NC.
What is the InChIKey of 3-ethyl-6-[4-[[(2R)-2-fluorobutyl]amino]butyl]-N-methyl-1,2-dihydropyridin-2-amine?
The InChIKey is FQOKLIVIKYIJSB-IURRXHLWSA-N. The full InChI is InChI=1S/C16H30FN3/c1-4-13-9-10-15(20-16(13)18-3)8-6-7-11-19-12-14(17)5-2/h9-10,14,16,18-20H,4-8,11-12H2,1-3H3/t14-,16?/m1/s1.
What are the key properties of 3-ethyl-6-[4-[[(2R)-2-fluorobutyl]amino]butyl]-N-methyl-1,2-dihydropyridin-2-amine?
3-ethyl-6-[4-[[(2R)-2-fluorobutyl]amino]butyl]-N-methyl-1,2-dihydropyridin-2-amine has a molecular weight of 283.44 g/mol, XLogP of 2.86, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-[4-[[(2R)-2-fluorobutyl]amino]butyl]-N-methyl-1,2-dihydropyridin-2-amine is sourced from PubChem (CID 176962601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).