N'-[2-(cyclopropylmethoxy)ethyl]-1-(5-fluoro-2-pyridinyl)-N,N'-dimethylpropane-1,3-diamine

C16H26FN3O — CID 83111882

IUPACN'-[2-(cyclopropylmethoxy)ethyl]-1-(5-fluoro-2-pyridinyl)-N,N'-dimethylpropane-1,3-diamine
SMILESCNC(CCN(C)CCOCC1CC1)c1ccc(F)cn1
InChIInChI=1S/C16H26FN3O/c1-18-15(16-6-5-14(17)11-19-16)7-8-20(2)9-10-21-12-13-3-4-13/h5-6,11,13,15,18H,3-4,7-10,12H2,1-2H3
InChIKeyLNHLQUWRWNOMBZ-UHFFFAOYSA-N
MW295.40 g/mol
LogP2.23
Rot. Bonds10

About N'-[2-(cyclopropylmethoxy)ethyl]-1-(5-fluoro-2-pyridinyl)-N,N'-dimethylpropane-1,3-diamine

N'-[2-(cyclopropylmethoxy)ethyl]-1-(5-fluoro-2-pyridinyl)-N,N'-dimethylpropane-1,3-diamine (PubChem CID 83111882) has the molecular formula C16H26FN3O and a molecular weight of 295.40 g/mol. Its IUPAC name is N'-[2-(cyclopropylmethoxy)ethyl]-1-(5-fluoro-2-pyridinyl)-N,N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-(cyclopropylmethoxy)ethyl]-1-(5-fluoro-2-pyridinyl)-N,N'-dimethylpropane-1,3-diamine
PubChem CID83111882
Molecular FormulaC16H26FN3O
Molecular Weight295.40 g/mol
Exact Mass295.21
IUPAC NameN'-[2-(cyclopropylmethoxy)ethyl]-1-(5-fluoro-2-pyridinyl)-N,N'-dimethylpropane-1,3-diamine
SMILESCNC(CCN(C)CCOCC1CC1)c1ccc(F)cn1
InChIInChI=1S/C16H26FN3O/c1-18-15(16-6-5-14(17)11-19-16)7-8-20(2)9-10-21-12-13-3-4-13/h5-6,11,13,15,18H,3-4,7-10,12H2,1-2H3
InChIKeyLNHLQUWRWNOMBZ-UHFFFAOYSA-N
XLogP2.23
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 52.23
H-Bond Donors ≤ 51
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'-(cyclopropylmethyl)-N'-ethyl-1-(5-fluoro-2-pyridinyl)-N-methylpropane-1,3-diamine
CID 83126725
5-[[3-(5-fluoro-2-pyridinyl)-3-(methylamino)propyl]-methylamino]pentan-1-ol
CID 107204696
N-ethyl-1-(5-fluoro-2-pyridinyl)-N'-(2-methoxyethyl)-N'-methylpropane-1,3-diamine
CID 83126155
N'-cyclohexyl-N'-ethyl-1-(5-fluoro-2-pyridinyl)-N-methylpropane-1,3-diamine
CID 83110520
1-(5-fluoro-2-pyridinyl)-3-[4-(methoxymethyl)piperidin-1-yl]-N-methylpropan-1-amine
CID 83111511
1-(5-fluoro-2-pyridinyl)-N,N'-dimethyl-N'-(4-methylphenyl)propane-1,3-diamine
CID 83109313
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'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 83126566
3-(2,6-dimethylthiomorpholin-4-yl)-1-(5-fluoro-2-pyridinyl)-N-methylpropan-1-amine
CID 83126435
1-[[3-(ethylamino)-3-(5-fluoro-2-pyridinyl)propyl]-methylamino]propan-2-ol
CID 83126298

Frequently Asked Questions

What is the IUPAC name of N'-[2-(cyclopropylmethoxy)ethyl]-1-(5-fluoro-2-pyridinyl)-N,N'-dimethylpropane-1,3-diamine?
The IUPAC name of N'-[2-(cyclopropylmethoxy)ethyl]-1-(5-fluoro-2-pyridinyl)-N,N'-dimethylpropane-1,3-diamine (CID 83111882) is N'-[2-(cyclopropylmethoxy)ethyl]-1-(5-fluoro-2-pyridinyl)-N,N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N'-[2-(cyclopropylmethoxy)ethyl]-1-(5-fluoro-2-pyridinyl)-N,N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N'-[2-(cyclopropylmethoxy)ethyl]-1-(5-fluoro-2-pyridinyl)-N,N'-dimethylpropane-1,3-diamine is CNC(CCN(C)CCOCC1CC1)c1ccc(F)cn1.
What is the InChIKey of N'-[2-(cyclopropylmethoxy)ethyl]-1-(5-fluoro-2-pyridinyl)-N,N'-dimethylpropane-1,3-diamine?
The InChIKey is LNHLQUWRWNOMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN3O/c1-18-15(16-6-5-14(17)11-19-16)7-8-20(2)9-10-21-12-13-3-4-13/h5-6,11,13,15,18H,3-4,7-10,12H2,1-2H3.
What are the key properties of N'-[2-(cyclopropylmethoxy)ethyl]-1-(5-fluoro-2-pyridinyl)-N,N'-dimethylpropane-1,3-diamine?
N'-[2-(cyclopropylmethoxy)ethyl]-1-(5-fluoro-2-pyridinyl)-N,N'-dimethylpropane-1,3-diamine has a molecular weight of 295.40 g/mol, XLogP of 2.23, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(cyclopropylmethoxy)ethyl]-1-(5-fluoro-2-pyridinyl)-N,N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 83111882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).