N-(6-chloro-2-pyridinyl)-N'-cyclopentyl-N'-methylethane-1,2-diamine

C13H20ClN3 — CID 63587094

IUPACN-(6-chloro-2-pyridinyl)-N'-cyclopentyl-N'-methylethane-1,2-diamine
SMILESCN(CCNc1cccc(Cl)n1)C1CCCC1
InChIInChI=1S/C13H20ClN3/c1-17(11-5-2-3-6-11)10-9-15-13-8-4-7-12(14)16-13/h4,7-8,11H,2-3,5-6,9-10H2,1H3,(H,15,16)
InChIKeyWLCFKXQYUAEPPH-UHFFFAOYSA-N
MW253.78 g/mol
LogP3.02
Rot. Bonds5

About N-(6-chloro-2-pyridinyl)-N'-cyclopentyl-N'-methylethane-1,2-diamine

N-(6-chloro-2-pyridinyl)-N'-cyclopentyl-N'-methylethane-1,2-diamine (PubChem CID 63587094) has the molecular formula C13H20ClN3 and a molecular weight of 253.78 g/mol. Its IUPAC name is N-(6-chloro-2-pyridinyl)-N'-cyclopentyl-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-(6-chloro-2-pyridinyl)-N'-cyclopentyl-N'-methylethane-1,2-diamine
PubChem CID63587094
Molecular FormulaC13H20ClN3
Molecular Weight253.78 g/mol
Exact Mass253.13
IUPAC NameN-(6-chloro-2-pyridinyl)-N'-cyclopentyl-N'-methylethane-1,2-diamine
SMILESCN(CCNc1cccc(Cl)n1)C1CCCC1
InChIInChI=1S/C13H20ClN3/c1-17(11-5-2-3-6-11)10-9-15-13-8-4-7-12(14)16-13/h4,7-8,11H,2-3,5-6,9-10H2,1H3,(H,15,16)
InChIKeyWLCFKXQYUAEPPH-UHFFFAOYSA-N
XLogP3.02
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.78
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloropyrimidin-4-yl)-N'-cyclopentyl-N'-methylethane-1,2-diamine
CID 63316886
N-(6-chloropyridazin-3-yl)-N'-cyclopentyl-N'-methylethane-1,2-diamine
CID 55205070
6-chloro-4-N-[2-[cyclopentyl(methyl)amino]ethyl]pyrimidine-2,4-diamine
CID 78942098
N-(4-chloro-1,3-thiazol-2-yl)-N'-cyclopentyl-N'-methylethane-1,2-diamine
CID 83153379
6-N-[3-[cyclohexyl(methyl)amino]propyl]pyridine-2,6-diamine
CID 80648183
N'-cyclopropyl-N-(6-ethoxy-2-pyridinyl)-N'-methylethane-1,2-diamine
CID 63591133
6-[2-[cyclopropyl(methyl)amino]ethylamino]pyridine-2-carbothioamide
CID 64594113
N'-cyclopentyl-N-(6-hydrazinylpyrazin-2-yl)-N'-methylethane-1,2-diamine
CID 80914281
4-N-[2-[cyclopentyl(methyl)amino]ethyl]-6-N-propylpyrimidine-2,4,6-triamine
CID 80814858
6-chloro-2-N-[2-[cyclopentyl(methyl)amino]ethyl]-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80829285
N'-cyclopentyl-N-(5-fluoro-2-pyridinyl)-N'-methylethane-1,2-diamine
CID 63317997
N'-cyclopentyl-N-(6-methoxypyrimidin-4-yl)-N'-methylethane-1,2-diamine
CID 66327031

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2-pyridinyl)-N'-cyclopentyl-N'-methylethane-1,2-diamine?
The IUPAC name of N-(6-chloro-2-pyridinyl)-N'-cyclopentyl-N'-methylethane-1,2-diamine (CID 63587094) is N-(6-chloro-2-pyridinyl)-N'-cyclopentyl-N'-methylethane-1,2-diamine.
What is the SMILES notation for N-(6-chloro-2-pyridinyl)-N'-cyclopentyl-N'-methylethane-1,2-diamine?
The canonical SMILES for N-(6-chloro-2-pyridinyl)-N'-cyclopentyl-N'-methylethane-1,2-diamine is CN(CCNc1cccc(Cl)n1)C1CCCC1.
What is the InChIKey of N-(6-chloro-2-pyridinyl)-N'-cyclopentyl-N'-methylethane-1,2-diamine?
The InChIKey is WLCFKXQYUAEPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3/c1-17(11-5-2-3-6-11)10-9-15-13-8-4-7-12(14)16-13/h4,7-8,11H,2-3,5-6,9-10H2,1H3,(H,15,16).
What are the key properties of N-(6-chloro-2-pyridinyl)-N'-cyclopentyl-N'-methylethane-1,2-diamine?
N-(6-chloro-2-pyridinyl)-N'-cyclopentyl-N'-methylethane-1,2-diamine has a molecular weight of 253.78 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2-pyridinyl)-N'-cyclopentyl-N'-methylethane-1,2-diamine is sourced from PubChem (CID 63587094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).