5-(chloromethyl)-N-ethyl-N-(2-ethylbutyl)pyrazin-2-amine

C13H22ClN3 — CID 107373392

IUPAC5-(chloromethyl)-N-ethyl-N-(2-ethylbutyl)pyrazin-2-amine
SMILESCCC(CC)CN(CC)c1cnc(CCl)cn1
InChIInChI=1S/C13H22ClN3/c1-4-11(5-2)10-17(6-3)13-9-15-12(7-14)8-16-13/h8-9,11H,4-7,10H2,1-3H3
InChIKeyPHEWIDZTVNCPGZ-UHFFFAOYSA-N
MW255.79 g/mol
LogP3.48
Rot. Bonds7

About 5-(chloromethyl)-N-ethyl-N-(2-ethylbutyl)pyrazin-2-amine

5-(chloromethyl)-N-ethyl-N-(2-ethylbutyl)pyrazin-2-amine (PubChem CID 107373392) has the molecular formula C13H22ClN3 and a molecular weight of 255.79 g/mol. Its IUPAC name is 5-(chloromethyl)-N-ethyl-N-(2-ethylbutyl)pyrazin-2-amine.

Molecular Properties

Compound Name5-(chloromethyl)-N-ethyl-N-(2-ethylbutyl)pyrazin-2-amine
PubChem CID107373392
Molecular FormulaC13H22ClN3
Molecular Weight255.79 g/mol
Exact Mass255.15
IUPAC Name5-(chloromethyl)-N-ethyl-N-(2-ethylbutyl)pyrazin-2-amine
SMILESCCC(CC)CN(CC)c1cnc(CCl)cn1
InChIInChI=1S/C13H22ClN3/c1-4-11(5-2)10-17(6-3)13-9-15-12(7-14)8-16-13/h8-9,11H,4-7,10H2,1-3H3
InChIKeyPHEWIDZTVNCPGZ-UHFFFAOYSA-N
XLogP3.48
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(chloromethyl)-N-ethyl-N-(2-ethylbutyl)pyrazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-N-(2-ethylbutyl)-5-[(propan-2-ylamino)methyl]pyrazin-2-amine
CID 107379566
6-(chloromethyl)-N-ethyl-N-(2-ethylbutyl)pyrazin-2-amine
CID 66467557
2-chloro-N-ethyl-N-(2-ethylbutyl)pyrimidin-4-amine
CID 62342460
N-ethyl-N-(2-methylpropyl)-5-[(propan-2-ylamino)methyl]pyrazin-2-amine
CID 107379098
5-(chloromethyl)-N-methyl-N-(4-methylpentan-2-yl)pyrazin-2-amine
CID 107373417
5-(chloromethyl)-N-propan-2-yl-N-propylpyrazin-2-amine
CID 107373326
5-(chloromethyl)-N-(cyclopropylmethyl)-N-propylpyrazin-2-amine
CID 107373395
5-(chloromethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyrazin-2-amine
CID 107373561
5-bromo-N-ethyl-N-(2-ethylbutyl)pyrimidin-2-amine
CID 63873425
2-chloro-6-[ethyl(2-ethylbutyl)amino]pyridine-4-carbonitrile
CID 83074738
6-(chloromethyl)-N-ethyl-N-(2-methylbutyl)pyridazin-3-amine
CID 79481764
N,N-diethyl-5-propan-2-ylpyrazin-2-amine
CID 58008934

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-N-ethyl-N-(2-ethylbutyl)pyrazin-2-amine?
The IUPAC name of 5-(chloromethyl)-N-ethyl-N-(2-ethylbutyl)pyrazin-2-amine (CID 107373392) is 5-(chloromethyl)-N-ethyl-N-(2-ethylbutyl)pyrazin-2-amine.
What is the SMILES notation for 5-(chloromethyl)-N-ethyl-N-(2-ethylbutyl)pyrazin-2-amine?
The canonical SMILES for 5-(chloromethyl)-N-ethyl-N-(2-ethylbutyl)pyrazin-2-amine is CCC(CC)CN(CC)c1cnc(CCl)cn1.
What is the InChIKey of 5-(chloromethyl)-N-ethyl-N-(2-ethylbutyl)pyrazin-2-amine?
The InChIKey is PHEWIDZTVNCPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN3/c1-4-11(5-2)10-17(6-3)13-9-15-12(7-14)8-16-13/h8-9,11H,4-7,10H2,1-3H3.
What are the key properties of 5-(chloromethyl)-N-ethyl-N-(2-ethylbutyl)pyrazin-2-amine?
5-(chloromethyl)-N-ethyl-N-(2-ethylbutyl)pyrazin-2-amine has a molecular weight of 255.79 g/mol, XLogP of 3.48, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-N-ethyl-N-(2-ethylbutyl)pyrazin-2-amine is sourced from PubChem (CID 107373392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).