N-(3-chloro-4-pyridinyl)-N'-cyclopentyl-N'-methylethane-1,2-diamine

C13H20ClN3 — CID 79841594

IUPACN-(3-chloro-4-pyridinyl)-N'-cyclopentyl-N'-methylethane-1,2-diamine
SMILESCN(CCNc1ccncc1Cl)C1CCCC1
InChIInChI=1S/C13H20ClN3/c1-17(11-4-2-3-5-11)9-8-16-13-6-7-15-10-12(13)14/h6-7,10-11H,2-5,8-9H2,1H3,(H,15,16)
InChIKeyWWBYDBJAIVVQEP-UHFFFAOYSA-N
MW253.78 g/mol
LogP3.02
Rot. Bonds5

About N-(3-chloro-4-pyridinyl)-N'-cyclopentyl-N'-methylethane-1,2-diamine

N-(3-chloro-4-pyridinyl)-N'-cyclopentyl-N'-methylethane-1,2-diamine (PubChem CID 79841594) has the molecular formula C13H20ClN3 and a molecular weight of 253.78 g/mol. Its IUPAC name is N-(3-chloro-4-pyridinyl)-N'-cyclopentyl-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-(3-chloro-4-pyridinyl)-N'-cyclopentyl-N'-methylethane-1,2-diamine
PubChem CID79841594
Molecular FormulaC13H20ClN3
Molecular Weight253.78 g/mol
Exact Mass253.13
IUPAC NameN-(3-chloro-4-pyridinyl)-N'-cyclopentyl-N'-methylethane-1,2-diamine
SMILESCN(CCNc1ccncc1Cl)C1CCCC1
InChIInChI=1S/C13H20ClN3/c1-17(11-4-2-3-5-11)9-8-16-13-6-7-15-10-12(13)14/h6-7,10-11H,2-5,8-9H2,1H3,(H,15,16)
InChIKeyWWBYDBJAIVVQEP-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

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Related Compounds

N-(3-bromo-4-pyridinyl)-N'-cyclopentyl-N'-methylethane-1,2-diamine
CID 104777050
N-(6-chloropyridazin-3-yl)-N'-cyclopentyl-N'-methylethane-1,2-diamine
CID 55205070
3-chloro-N-[2-(4-methylcyclohexyl)ethyl]pyridin-4-amine
CID 79840811
N-(4-chloro-1,3-thiazol-2-yl)-N'-cyclopentyl-N'-methylethane-1,2-diamine
CID 83153379
N-[(4-chloro-3-pyridinyl)methyl]-N'-cyclopentyl-N,N'-dimethylethane-1,2-diamine
CID 131949946
N-(2-chloropyrimidin-4-yl)-N'-cyclopentyl-N'-methylethane-1,2-diamine
CID 63316886
3-chloro-N-(2-methylsulfinylethyl)pyridin-4-amine
CID 115680988
N-[[2-(aminomethyl)cyclohexyl]methyl]-3-chloropyridin-4-amine
CID 79840186
3-chloro-N-(3-methylbutyl)pyridin-4-amine
CID 79769796
N'-cyclopropyl-N'-methyl-N-pyrazin-2-ylethane-1,2-diamine
CID 62980641
N'-cyclopentyl-N-(2-fluorophenyl)-N'-methylethane-1,2-diamine
CID 55085570
5-N-[2-[cyclopentyl(methyl)amino]ethyl]pyridine-3,5-diamine
CID 104534598

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-pyridinyl)-N'-cyclopentyl-N'-methylethane-1,2-diamine?
The IUPAC name of N-(3-chloro-4-pyridinyl)-N'-cyclopentyl-N'-methylethane-1,2-diamine (CID 79841594) is N-(3-chloro-4-pyridinyl)-N'-cyclopentyl-N'-methylethane-1,2-diamine.
What is the SMILES notation for N-(3-chloro-4-pyridinyl)-N'-cyclopentyl-N'-methylethane-1,2-diamine?
The canonical SMILES for N-(3-chloro-4-pyridinyl)-N'-cyclopentyl-N'-methylethane-1,2-diamine is CN(CCNc1ccncc1Cl)C1CCCC1.
What is the InChIKey of N-(3-chloro-4-pyridinyl)-N'-cyclopentyl-N'-methylethane-1,2-diamine?
The InChIKey is WWBYDBJAIVVQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3/c1-17(11-4-2-3-5-11)9-8-16-13-6-7-15-10-12(13)14/h6-7,10-11H,2-5,8-9H2,1H3,(H,15,16).
What are the key properties of N-(3-chloro-4-pyridinyl)-N'-cyclopentyl-N'-methylethane-1,2-diamine?
N-(3-chloro-4-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-(3-chloro-4-pyridinyl)-N'-cyclopentyl-N'-methylethane-1,2-diamine is sourced from PubChem (CID 79841594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).