N'-cyclopentyl-N'-(3,6-dimethylpyrazin-2-yl)ethane-1,2-diamine

C13H22N4 — CID 55218668

IUPACN'-cyclopentyl-N'-(3,6-dimethylpyrazin-2-yl)ethane-1,2-diamine
SMILESCc1cnc(C)c(N(CCN)C2CCCC2)n1
InChIInChI=1S/C13H22N4/c1-10-9-15-11(2)13(16-10)17(8-7-14)12-5-3-4-6-12/h9,12H,3-8,14H2,1-2H3
InChIKeyVSUPVCLOTGZRMT-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.80
Rot. Bonds4

About N'-cyclopentyl-N'-(3,6-dimethylpyrazin-2-yl)ethane-1,2-diamine

N'-cyclopentyl-N'-(3,6-dimethylpyrazin-2-yl)ethane-1,2-diamine (PubChem CID 55218668) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is N'-cyclopentyl-N'-(3,6-dimethylpyrazin-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopentyl-N'-(3,6-dimethylpyrazin-2-yl)ethane-1,2-diamine
PubChem CID55218668
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC NameN'-cyclopentyl-N'-(3,6-dimethylpyrazin-2-yl)ethane-1,2-diamine
SMILESCc1cnc(C)c(N(CCN)C2CCCC2)n1
InChIInChI=1S/C13H22N4/c1-10-9-15-11(2)13(16-10)17(8-7-14)12-5-3-4-6-12/h9,12H,3-8,14H2,1-2H3
InChIKeyVSUPVCLOTGZRMT-UHFFFAOYSA-N
XLogP1.80
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-cyclohexyl-N'-(5,6-dimethylpyrazin-2-yl)ethane-1,2-diamine
CID 114477609
2-[cyclopropyl-(3,6-dimethylpyrazin-2-yl)amino]ethanol
CID 65418206
3,6-dimethyl-N-piperidin-3-yl-N-propylpyrazin-2-amine
CID 63636338
N'-(5-bromo-3-methyl-2-pyridinyl)-N'-cyclohexylethane-1,2-diamine
CID 79717543
2-[3-aminopropyl(cyclopentyl)amino]-4,6-dimethylpyridine-3-carboxamide
CID 60868730
N'-cyclobutyl-N'-(3-methylquinolin-2-yl)ethane-1,2-diamine
CID 102874684
N'-cyclobutyl-N'-(5-iodopyrimidin-4-yl)ethane-1,2-diamine
CID 102874836
N'-cyclohexyl-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine
CID 63764931
N'-(5-bromo-3-methyl-2-pyridinyl)-N'-cycloheptylpropane-1,3-diamine
CID 79712548
N'-(5-bromo-3-methyl-2-pyridinyl)-N'-cyclohexylpropane-1,3-diamine
CID 79712452
N'-cyclopropyl-N'-(3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-yl)ethane-1,2-diamine
CID 114203402
N'-(3-bromo-5-chloro-2-pyridinyl)-N'-cyclobutylethane-1,2-diamine
CID 102874697

Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-N'-(3,6-dimethylpyrazin-2-yl)ethane-1,2-diamine?
The IUPAC name of N'-cyclopentyl-N'-(3,6-dimethylpyrazin-2-yl)ethane-1,2-diamine (CID 55218668) is N'-cyclopentyl-N'-(3,6-dimethylpyrazin-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-cyclopentyl-N'-(3,6-dimethylpyrazin-2-yl)ethane-1,2-diamine?
The canonical SMILES for N'-cyclopentyl-N'-(3,6-dimethylpyrazin-2-yl)ethane-1,2-diamine is Cc1cnc(C)c(N(CCN)C2CCCC2)n1.
What is the InChIKey of N'-cyclopentyl-N'-(3,6-dimethylpyrazin-2-yl)ethane-1,2-diamine?
The InChIKey is VSUPVCLOTGZRMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-10-9-15-11(2)13(16-10)17(8-7-14)12-5-3-4-6-12/h9,12H,3-8,14H2,1-2H3.
What are the key properties of N'-cyclopentyl-N'-(3,6-dimethylpyrazin-2-yl)ethane-1,2-diamine?
N'-cyclopentyl-N'-(3,6-dimethylpyrazin-2-yl)ethane-1,2-diamine has a molecular weight of 234.35 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-N'-(3,6-dimethylpyrazin-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 55218668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).