N-(5,6-dimethylpyrazin-2-yl)-2-propylbutane-1,4-diamine

C13H24N4 — CID 106116504

IUPACN-(5,6-dimethylpyrazin-2-yl)-2-propylbutane-1,4-diamine
SMILESCCCC(CCN)CNc1cnc(C)c(C)n1
InChIInChI=1S/C13H24N4/c1-4-5-12(6-7-14)8-16-13-9-15-10(2)11(3)17-13/h9,12H,4-8,14H2,1-3H3,(H,16,17)
InChIKeyYIGTZXZOXLYVOB-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.27
Rot. Bonds7

About N-(5,6-dimethylpyrazin-2-yl)-2-propylbutane-1,4-diamine

N-(5,6-dimethylpyrazin-2-yl)-2-propylbutane-1,4-diamine (PubChem CID 106116504) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is N-(5,6-dimethylpyrazin-2-yl)-2-propylbutane-1,4-diamine.

Molecular Properties

Compound NameN-(5,6-dimethylpyrazin-2-yl)-2-propylbutane-1,4-diamine
PubChem CID106116504
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC NameN-(5,6-dimethylpyrazin-2-yl)-2-propylbutane-1,4-diamine
SMILESCCCC(CCN)CNc1cnc(C)c(C)n1
InChIInChI=1S/C13H24N4/c1-4-5-12(6-7-14)8-16-13-9-15-10(2)11(3)17-13/h9,12H,4-8,14H2,1-3H3,(H,16,17)
InChIKeyYIGTZXZOXLYVOB-UHFFFAOYSA-N
XLogP2.27
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5,6-dimethylpyrazin-2-yl)-2-propylbutane-1,4-diamine?
The IUPAC name of N-(5,6-dimethylpyrazin-2-yl)-2-propylbutane-1,4-diamine (CID 106116504) is N-(5,6-dimethylpyrazin-2-yl)-2-propylbutane-1,4-diamine.
What is the SMILES notation for N-(5,6-dimethylpyrazin-2-yl)-2-propylbutane-1,4-diamine?
The canonical SMILES for N-(5,6-dimethylpyrazin-2-yl)-2-propylbutane-1,4-diamine is CCCC(CCN)CNc1cnc(C)c(C)n1.
What is the InChIKey of N-(5,6-dimethylpyrazin-2-yl)-2-propylbutane-1,4-diamine?
The InChIKey is YIGTZXZOXLYVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-4-5-12(6-7-14)8-16-13-9-15-10(2)11(3)17-13/h9,12H,4-8,14H2,1-3H3,(H,16,17).
What are the key properties of N-(5,6-dimethylpyrazin-2-yl)-2-propylbutane-1,4-diamine?
N-(5,6-dimethylpyrazin-2-yl)-2-propylbutane-1,4-diamine has a molecular weight of 236.36 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dimethylpyrazin-2-yl)-2-propylbutane-1,4-diamine is sourced from PubChem (CID 106116504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).