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

C13H20FN3 — CID 63317997

IUPACN'-cyclopentyl-N-(5-fluoro-2-pyridinyl)-N'-methylethane-1,2-diamine
SMILESCN(CCNc1ccc(F)cn1)C1CCCC1
InChIInChI=1S/C13H20FN3/c1-17(12-4-2-3-5-12)9-8-15-13-7-6-11(14)10-16-13/h6-7,10,12H,2-5,8-9H2,1H3,(H,15,16)
InChIKeyYXWLCNPAIZSPSW-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.51
Rot. Bonds5

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

N'-cyclopentyl-N-(5-fluoro-2-pyridinyl)-N'-methylethane-1,2-diamine (PubChem CID 63317997) has the molecular formula C13H20FN3 and a molecular weight of 237.32 g/mol. Its IUPAC name is N'-cyclopentyl-N-(5-fluoro-2-pyridinyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopentyl-N-(5-fluoro-2-pyridinyl)-N'-methylethane-1,2-diamine
PubChem CID63317997
Molecular FormulaC13H20FN3
Molecular Weight237.32 g/mol
Exact Mass237.16
IUPAC NameN'-cyclopentyl-N-(5-fluoro-2-pyridinyl)-N'-methylethane-1,2-diamine
SMILESCN(CCNc1ccc(F)cn1)C1CCCC1
InChIInChI=1S/C13H20FN3/c1-17(12-4-2-3-5-12)9-8-15-13-7-6-11(14)10-16-13/h6-7,10,12H,2-5,8-9H2,1H3,(H,15,16)
InChIKeyYXWLCNPAIZSPSW-UHFFFAOYSA-N
XLogP2.51
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-cyclopentyl-N-(5-fluoropyrimidin-2-yl)-N'-methylethane-1,2-diamine
CID 112703177
N-(6-chloropyridazin-3-yl)-N'-cyclopentyl-N'-methylethane-1,2-diamine
CID 55205070
5-[2-[cyclopentyl(methyl)amino]ethylamino]pyridine-2-carbonitrile
CID 115487694
N-(2-chloropyrimidin-4-yl)-N'-cyclopentyl-N'-methylethane-1,2-diamine
CID 63316886
N'-cyclopentyl-N-(6-hydrazinylpyrazin-2-yl)-N'-methylethane-1,2-diamine
CID 80914281
N'-cyclopentyl-N-(3,6-dimethylpyrazin-2-yl)-N'-methylethane-1,2-diamine
CID 65417550
N-(5-fluoro-2-pyridinyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 106048487
3-[cyclohexyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-one
CID 83125834
5-fluoro-N-(2-fluoroethyl)pyridin-2-amine
CID 130504146
N'-cyclopentyl-N-(2-fluorophenyl)-N'-methylethane-1,2-diamine
CID 55085570
N'-cyclopropyl-N'-methyl-N-pyrazin-2-ylethane-1,2-diamine
CID 62980641
N-[[1-(dimethylamino)cyclopentyl]methyl]-5-fluoropyridin-2-amine
CID 83113071

Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-N-(5-fluoro-2-pyridinyl)-N'-methylethane-1,2-diamine?
The IUPAC name of N'-cyclopentyl-N-(5-fluoro-2-pyridinyl)-N'-methylethane-1,2-diamine (CID 63317997) is N'-cyclopentyl-N-(5-fluoro-2-pyridinyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-cyclopentyl-N-(5-fluoro-2-pyridinyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-cyclopentyl-N-(5-fluoro-2-pyridinyl)-N'-methylethane-1,2-diamine is CN(CCNc1ccc(F)cn1)C1CCCC1.
What is the InChIKey of N'-cyclopentyl-N-(5-fluoro-2-pyridinyl)-N'-methylethane-1,2-diamine?
The InChIKey is YXWLCNPAIZSPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3/c1-17(12-4-2-3-5-12)9-8-15-13-7-6-11(14)10-16-13/h6-7,10,12H,2-5,8-9H2,1H3,(H,15,16).
What are the key properties of N'-cyclopentyl-N-(5-fluoro-2-pyridinyl)-N'-methylethane-1,2-diamine?
N'-cyclopentyl-N-(5-fluoro-2-pyridinyl)-N'-methylethane-1,2-diamine has a molecular weight of 237.32 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-N-(5-fluoro-2-pyridinyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 63317997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).