N'-cyclopentyl-1-(5-fluoro-2-pyridinyl)-N,N',2-trimethylpropane-1,3-diamine

C16H26FN3 — CID 115941183

IUPACN'-cyclopentyl-1-(5-fluoro-2-pyridinyl)-N,N',2-trimethylpropane-1,3-diamine
SMILESCNC(c1ccc(F)cn1)C(C)CN(C)C1CCCC1
InChIInChI=1S/C16H26FN3/c1-12(11-20(3)14-6-4-5-7-14)16(18-2)15-9-8-13(17)10-19-15/h8-10,12,14,16,18H,4-7,11H2,1-3H3
InChIKeyMMZWAWIOXGOHFU-UHFFFAOYSA-N
MW279.40 g/mol
LogP2.99
Rot. Bonds6

About N'-cyclopentyl-1-(5-fluoro-2-pyridinyl)-N,N',2-trimethylpropane-1,3-diamine

N'-cyclopentyl-1-(5-fluoro-2-pyridinyl)-N,N',2-trimethylpropane-1,3-diamine (PubChem CID 115941183) has the molecular formula C16H26FN3 and a molecular weight of 279.40 g/mol. Its IUPAC name is N'-cyclopentyl-1-(5-fluoro-2-pyridinyl)-N,N',2-trimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclopentyl-1-(5-fluoro-2-pyridinyl)-N,N',2-trimethylpropane-1,3-diamine
PubChem CID115941183
Molecular FormulaC16H26FN3
Molecular Weight279.40 g/mol
Exact Mass279.21
IUPAC NameN'-cyclopentyl-1-(5-fluoro-2-pyridinyl)-N,N',2-trimethylpropane-1,3-diamine
SMILESCNC(c1ccc(F)cn1)C(C)CN(C)C1CCCC1
InChIInChI=1S/C16H26FN3/c1-12(11-20(3)14-6-4-5-7-14)16(18-2)15-9-8-13(17)10-19-15/h8-10,12,14,16,18H,4-7,11H2,1-3H3
InChIKeyMMZWAWIOXGOHFU-UHFFFAOYSA-N
XLogP2.99
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-fluoro-2-pyridinyl)-N,N',N',2-tetramethylpropane-1,3-diamine
CID 112586269
N'-cyclopropyl-1-(5-fluoro-2-pyridinyl)-N,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 115941288
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
3-[(1,1-dioxothiolan-3-yl)-methylamino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol
CID 115941523
3-[cyclobutylmethyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol
CID 112586409
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
2-[[3-(ethylamino)-3-(5-fluoro-2-pyridinyl)-2-methylpropyl]-methylamino]propan-1-ol
CID 104554713
N'-cyclopentyl-N-(5-fluoro-2-pyridinyl)-N'-methylethane-1,2-diamine
CID 63317997
3-[cyclohexyl(ethyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-ol
CID 83126803

Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-1-(5-fluoro-2-pyridinyl)-N,N',2-trimethylpropane-1,3-diamine?
The IUPAC name of N'-cyclopentyl-1-(5-fluoro-2-pyridinyl)-N,N',2-trimethylpropane-1,3-diamine (CID 115941183) is N'-cyclopentyl-1-(5-fluoro-2-pyridinyl)-N,N',2-trimethylpropane-1,3-diamine.
What is the SMILES notation for N'-cyclopentyl-1-(5-fluoro-2-pyridinyl)-N,N',2-trimethylpropane-1,3-diamine?
The canonical SMILES for N'-cyclopentyl-1-(5-fluoro-2-pyridinyl)-N,N',2-trimethylpropane-1,3-diamine is CNC(c1ccc(F)cn1)C(C)CN(C)C1CCCC1.
What is the InChIKey of N'-cyclopentyl-1-(5-fluoro-2-pyridinyl)-N,N',2-trimethylpropane-1,3-diamine?
The InChIKey is MMZWAWIOXGOHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN3/c1-12(11-20(3)14-6-4-5-7-14)16(18-2)15-9-8-13(17)10-19-15/h8-10,12,14,16,18H,4-7,11H2,1-3H3.
What are the key properties of N'-cyclopentyl-1-(5-fluoro-2-pyridinyl)-N,N',2-trimethylpropane-1,3-diamine?
N'-cyclopentyl-1-(5-fluoro-2-pyridinyl)-N,N',2-trimethylpropane-1,3-diamine has a molecular weight of 279.40 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-1-(5-fluoro-2-pyridinyl)-N,N',2-trimethylpropane-1,3-diamine is sourced from PubChem (CID 115941183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).