2,2-dimethyl-N'-propyl-N'-pyrazin-2-ylpropane-1,3-diamine

C12H22N4 — CID 79662197

IUPAC2,2-dimethyl-N'-propyl-N'-pyrazin-2-ylpropane-1,3-diamine
SMILESCCCN(CC(C)(C)CN)c1cnccn1
InChIInChI=1S/C12H22N4/c1-4-7-16(10-12(2,3)9-13)11-8-14-5-6-15-11/h5-6,8H,4,7,9-10,13H2,1-3H3
InChIKeyLLQYGXPTURKFFV-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.68
Rot. Bonds6

About 2,2-dimethyl-N'-propyl-N'-pyrazin-2-ylpropane-1,3-diamine

2,2-dimethyl-N'-propyl-N'-pyrazin-2-ylpropane-1,3-diamine (PubChem CID 79662197) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 2,2-dimethyl-N'-propyl-N'-pyrazin-2-ylpropane-1,3-diamine.

Molecular Properties

Compound Name2,2-dimethyl-N'-propyl-N'-pyrazin-2-ylpropane-1,3-diamine
PubChem CID79662197
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name2,2-dimethyl-N'-propyl-N'-pyrazin-2-ylpropane-1,3-diamine
SMILESCCCN(CC(C)(C)CN)c1cnccn1
InChIInChI=1S/C12H22N4/c1-4-7-16(10-12(2,3)9-13)11-8-14-5-6-15-11/h5-6,8H,4,7,9-10,13H2,1-3H3
InChIKeyLLQYGXPTURKFFV-UHFFFAOYSA-N
XLogP1.68
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N'-propyl-N'-pyrazin-2-ylpropane-1,3-diamine?
The IUPAC name of 2,2-dimethyl-N'-propyl-N'-pyrazin-2-ylpropane-1,3-diamine (CID 79662197) is 2,2-dimethyl-N'-propyl-N'-pyrazin-2-ylpropane-1,3-diamine.
What is the SMILES notation for 2,2-dimethyl-N'-propyl-N'-pyrazin-2-ylpropane-1,3-diamine?
The canonical SMILES for 2,2-dimethyl-N'-propyl-N'-pyrazin-2-ylpropane-1,3-diamine is CCCN(CC(C)(C)CN)c1cnccn1.
What is the InChIKey of 2,2-dimethyl-N'-propyl-N'-pyrazin-2-ylpropane-1,3-diamine?
The InChIKey is LLQYGXPTURKFFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-4-7-16(10-12(2,3)9-13)11-8-14-5-6-15-11/h5-6,8H,4,7,9-10,13H2,1-3H3.
What are the key properties of 2,2-dimethyl-N'-propyl-N'-pyrazin-2-ylpropane-1,3-diamine?
2,2-dimethyl-N'-propyl-N'-pyrazin-2-ylpropane-1,3-diamine has a molecular weight of 222.34 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N'-propyl-N'-pyrazin-2-ylpropane-1,3-diamine is sourced from PubChem (CID 79662197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).