5-[[3-(5-fluoro-2-pyridinyl)-3-(methylamino)propyl]-methylamino]pentan-1-ol

C15H26FN3O — CID 107204696

IUPAC5-[[3-(5-fluoro-2-pyridinyl)-3-(methylamino)propyl]-methylamino]pentan-1-ol
SMILESCNC(CCN(C)CCCCCO)c1ccc(F)cn1
InChIInChI=1S/C15H26FN3O/c1-17-14(15-7-6-13(16)12-18-15)8-10-19(2)9-4-3-5-11-20/h6-7,12,14,17,20H,3-5,8-11H2,1-2H3
InChIKeyMYVPEXJQGLULEB-UHFFFAOYSA-N
MW283.39 g/mol
LogP1.97
Rot. Bonds10

About 5-[[3-(5-fluoro-2-pyridinyl)-3-(methylamino)propyl]-methylamino]pentan-1-ol

5-[[3-(5-fluoro-2-pyridinyl)-3-(methylamino)propyl]-methylamino]pentan-1-ol (PubChem CID 107204696) has the molecular formula C15H26FN3O and a molecular weight of 283.39 g/mol. Its IUPAC name is 5-[[3-(5-fluoro-2-pyridinyl)-3-(methylamino)propyl]-methylamino]pentan-1-ol.

Molecular Properties

Compound Name5-[[3-(5-fluoro-2-pyridinyl)-3-(methylamino)propyl]-methylamino]pentan-1-ol
PubChem CID107204696
Molecular FormulaC15H26FN3O
Molecular Weight283.39 g/mol
Exact Mass283.21
IUPAC Name5-[[3-(5-fluoro-2-pyridinyl)-3-(methylamino)propyl]-methylamino]pentan-1-ol
SMILESCNC(CCN(C)CCCCCO)c1ccc(F)cn1
InChIInChI=1S/C15H26FN3O/c1-17-14(15-7-6-13(16)12-18-15)8-10-19(2)9-4-3-5-11-20/h6-7,12,14,17,20H,3-5,8-11H2,1-2H3
InChIKeyMYVPEXJQGLULEB-UHFFFAOYSA-N
XLogP1.97
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[3-(5-fluoro-2-pyridinyl)-3-(methylamino)propyl]-methylamino]ethanol
CID 83126078
N'-[2-(cyclopropylmethoxy)ethyl]-1-(5-fluoro-2-pyridinyl)-N,N'-dimethylpropane-1,3-diamine
CID 83111882
1-(5-fluoro-2-pyridinyl)-N-methyldecan-1-amine
CID 79712241
1-(5-fluoro-2-pyridinyl)-N,N'-dimethyl-N'-(4-methylphenyl)propane-1,3-diamine
CID 83109313
1-[[3-(ethylamino)-3-(5-fluoro-2-pyridinyl)propyl]-methylamino]propan-2-ol
CID 83126298
N'-[2-(dimethylamino)ethyl]-1-(5-fluoro-2-pyridinyl)-N'-methyl-N-propylpropane-1,3-diamine
CID 83111114
N'-ethyl-1-(5-fluoro-2-pyridinyl)-N'-methyl-N-propylpropane-1,3-diamine
CID 83125854
N-ethyl-1-(5-fluoro-2-pyridinyl)-N'-(2-methoxyethyl)-N'-methylpropane-1,3-diamine
CID 83126155
1-(5-fluoro-2-pyridinyl)-N-methyloct-7-en-1-amine
CID 107009456
N-ethyl-1-(5-fluoro-2-pyridinyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 83126566
N'-cyclohexyl-N'-ethyl-1-(5-fluoro-2-pyridinyl)-N-methylpropane-1,3-diamine
CID 83110520
5-[[3-amino-3-(4-fluorophenyl)propyl]-methylamino]pentan-1-ol
CID 107204561

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(5-fluoro-2-pyridinyl)-3-(methylamino)propyl]-methylamino]pentan-1-ol?
The IUPAC name of 5-[[3-(5-fluoro-2-pyridinyl)-3-(methylamino)propyl]-methylamino]pentan-1-ol (CID 107204696) is 5-[[3-(5-fluoro-2-pyridinyl)-3-(methylamino)propyl]-methylamino]pentan-1-ol.
What is the SMILES notation for 5-[[3-(5-fluoro-2-pyridinyl)-3-(methylamino)propyl]-methylamino]pentan-1-ol?
The canonical SMILES for 5-[[3-(5-fluoro-2-pyridinyl)-3-(methylamino)propyl]-methylamino]pentan-1-ol is CNC(CCN(C)CCCCCO)c1ccc(F)cn1.
What is the InChIKey of 5-[[3-(5-fluoro-2-pyridinyl)-3-(methylamino)propyl]-methylamino]pentan-1-ol?
The InChIKey is MYVPEXJQGLULEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26FN3O/c1-17-14(15-7-6-13(16)12-18-15)8-10-19(2)9-4-3-5-11-20/h6-7,12,14,17,20H,3-5,8-11H2,1-2H3.
What are the key properties of 5-[[3-(5-fluoro-2-pyridinyl)-3-(methylamino)propyl]-methylamino]pentan-1-ol?
5-[[3-(5-fluoro-2-pyridinyl)-3-(methylamino)propyl]-methylamino]pentan-1-ol has a molecular weight of 283.39 g/mol, XLogP of 1.97, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(5-fluoro-2-pyridinyl)-3-(methylamino)propyl]-methylamino]pentan-1-ol is sourced from PubChem (CID 107204696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).