N'-cyclopentyl-N'-methyl-N-(pyrazin-2-ylmethyl)ethane-1,2-diamine

C13H22N4 — CID 55204874

IUPACN'-cyclopentyl-N'-methyl-N-(pyrazin-2-ylmethyl)ethane-1,2-diamine
SMILESCN(CCNCc1cnccn1)C1CCCC1
InChIInChI=1S/C13H22N4/c1-17(13-4-2-3-5-13)9-8-15-11-12-10-14-6-7-16-12/h6-7,10,13,15H,2-5,8-9,11H2,1H3
InChIKeyZRHYEKIRWJOJOO-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.44
Rot. Bonds6

About N'-cyclopentyl-N'-methyl-N-(pyrazin-2-ylmethyl)ethane-1,2-diamine

N'-cyclopentyl-N'-methyl-N-(pyrazin-2-ylmethyl)ethane-1,2-diamine (PubChem CID 55204874) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is N'-cyclopentyl-N'-methyl-N-(pyrazin-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopentyl-N'-methyl-N-(pyrazin-2-ylmethyl)ethane-1,2-diamine
PubChem CID55204874
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC NameN'-cyclopentyl-N'-methyl-N-(pyrazin-2-ylmethyl)ethane-1,2-diamine
SMILESCN(CCNCc1cnccn1)C1CCCC1
InChIInChI=1S/C13H22N4/c1-17(13-4-2-3-5-13)9-8-15-11-12-10-14-6-7-16-12/h6-7,10,13,15H,2-5,8-9,11H2,1H3
InChIKeyZRHYEKIRWJOJOO-UHFFFAOYSA-N
XLogP1.44
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-N'-methyl-N-(pyrazin-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-cyclopentyl-N'-methyl-N-(pyrazin-2-ylmethyl)ethane-1,2-diamine (CID 55204874) is N'-cyclopentyl-N'-methyl-N-(pyrazin-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-cyclopentyl-N'-methyl-N-(pyrazin-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-cyclopentyl-N'-methyl-N-(pyrazin-2-ylmethyl)ethane-1,2-diamine is CN(CCNCc1cnccn1)C1CCCC1.
What is the InChIKey of N'-cyclopentyl-N'-methyl-N-(pyrazin-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is ZRHYEKIRWJOJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-17(13-4-2-3-5-13)9-8-15-11-12-10-14-6-7-16-12/h6-7,10,13,15H,2-5,8-9,11H2,1H3.
What are the key properties of N'-cyclopentyl-N'-methyl-N-(pyrazin-2-ylmethyl)ethane-1,2-diamine?
N'-cyclopentyl-N'-methyl-N-(pyrazin-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 234.35 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-N'-methyl-N-(pyrazin-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 55204874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).