N'-cyclopropyl-1-(5-fluoro-2-pyridinyl)-N,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine

C17H28FN3 — CID 115941288

IUPACN'-cyclopropyl-1-(5-fluoro-2-pyridinyl)-N,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine
SMILESCNC(c1ccc(F)cn1)C(C)CN(CC(C)C)C1CC1
InChIInChI=1S/C17H28FN3/c1-12(2)10-21(15-6-7-15)11-13(3)17(19-4)16-8-5-14(18)9-20-16/h5,8-9,12-13,15,17,19H,6-7,10-11H2,1-4H3
InChIKeyPKTHLFWLEFLISF-UHFFFAOYSA-N
MW293.43 g/mol
LogP3.24
Rot. Bonds8

About N'-cyclopropyl-1-(5-fluoro-2-pyridinyl)-N,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine

N'-cyclopropyl-1-(5-fluoro-2-pyridinyl)-N,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine (PubChem CID 115941288) has the molecular formula C17H28FN3 and a molecular weight of 293.43 g/mol. Its IUPAC name is N'-cyclopropyl-1-(5-fluoro-2-pyridinyl)-N,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-1-(5-fluoro-2-pyridinyl)-N,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine
PubChem CID115941288
Molecular FormulaC17H28FN3
Molecular Weight293.43 g/mol
Exact Mass293.23
IUPAC NameN'-cyclopropyl-1-(5-fluoro-2-pyridinyl)-N,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine
SMILESCNC(c1ccc(F)cn1)C(C)CN(CC(C)C)C1CC1
InChIInChI=1S/C17H28FN3/c1-12(2)10-21(15-6-7-15)11-13(3)17(19-4)16-8-5-14(18)9-20-16/h5,8-9,12-13,15,17,19H,6-7,10-11H2,1-4H3
InChIKeyPKTHLFWLEFLISF-UHFFFAOYSA-N
XLogP3.24
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-cyclopentyl-1-(5-fluoro-2-pyridinyl)-N,N',2-trimethylpropane-1,3-diamine
CID 115941183
1-(5-fluoro-2-pyridinyl)-N,N',N',2-tetramethylpropane-1,3-diamine
CID 112586269
N'-cyclopropyl-1-(2-fluorophenyl)-N,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 115996833
1-(5-fluoro-2-pyridinyl)-N,N',2-trimethyl-N'-(1-methylsulfanylpropan-2-yl)propane-1,3-diamine
CID 115987563
N-ethyl-1-(5-fluoro-2-pyridinyl)-N',N',2-trimethylpropane-1,3-diamine
CID 112586268
[1-[3-(5-fluoro-2-pyridinyl)-2-methyl-3-(methylamino)propyl]pyrrolidin-3-yl]methanol
CID 115967196
N'-cyclohexyl-N'-ethyl-1-(5-fluoro-2-pyridinyl)-N-methylpropane-1,3-diamine
CID 83110520
1-(5-fluoro-2-pyridinyl)-N,2-dimethyl-3-(1,4-oxazepan-4-yl)propan-1-amine
CID 115941378
1-cyclopropyl-N-[1-(5-fluoro-2-pyridinyl)ethyl]ethanamine
CID 83117431
N'-cyclopropyl-1-(2-fluorophenyl)-N,2-dimethyl-N'-propylpropane-1,3-diamine
CID 115996737
2-[[3-(ethylamino)-3-(5-fluoro-2-pyridinyl)-2-methylpropyl]-methylamino]propan-1-ol
CID 104554713
1-cyclopropyl-N-[1-(5-fluoro-2-pyridinyl)ethyl]propan-2-amine
CID 83119407

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-1-(5-fluoro-2-pyridinyl)-N,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine?
The IUPAC name of N'-cyclopropyl-1-(5-fluoro-2-pyridinyl)-N,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine (CID 115941288) is N'-cyclopropyl-1-(5-fluoro-2-pyridinyl)-N,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine.
What is the SMILES notation for N'-cyclopropyl-1-(5-fluoro-2-pyridinyl)-N,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine?
The canonical SMILES for N'-cyclopropyl-1-(5-fluoro-2-pyridinyl)-N,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine is CNC(c1ccc(F)cn1)C(C)CN(CC(C)C)C1CC1.
What is the InChIKey of N'-cyclopropyl-1-(5-fluoro-2-pyridinyl)-N,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine?
The InChIKey is PKTHLFWLEFLISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FN3/c1-12(2)10-21(15-6-7-15)11-13(3)17(19-4)16-8-5-14(18)9-20-16/h5,8-9,12-13,15,17,19H,6-7,10-11H2,1-4H3.
What are the key properties of N'-cyclopropyl-1-(5-fluoro-2-pyridinyl)-N,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine?
N'-cyclopropyl-1-(5-fluoro-2-pyridinyl)-N,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine has a molecular weight of 293.43 g/mol, XLogP of 3.24, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-1-(5-fluoro-2-pyridinyl)-N,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine is sourced from PubChem (CID 115941288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).