3-N-[2-(dimethylamino)ethyl]-3-N-(2-methylpropyl)pyrazine-2,3-diamine

C12H23N5 — CID 102985665

IUPAC3-N-[2-(dimethylamino)ethyl]-3-N-(2-methylpropyl)pyrazine-2,3-diamine
SMILESCC(C)CN(CCN(C)C)c1nccnc1N
InChIInChI=1S/C12H23N5/c1-10(2)9-17(8-7-16(3)4)12-11(13)14-5-6-15-12/h5-6,10H,7-9H2,1-4H3,(H2,13,14)
InChIKeyLMMYFJMGMIZTKI-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.08
Rot. Bonds6

About 3-N-[2-(dimethylamino)ethyl]-3-N-(2-methylpropyl)pyrazine-2,3-diamine

3-N-[2-(dimethylamino)ethyl]-3-N-(2-methylpropyl)pyrazine-2,3-diamine (PubChem CID 102985665) has the molecular formula C12H23N5 and a molecular weight of 237.35 g/mol. Its IUPAC name is 3-N-[2-(dimethylamino)ethyl]-3-N-(2-methylpropyl)pyrazine-2,3-diamine.

Molecular Properties

Compound Name3-N-[2-(dimethylamino)ethyl]-3-N-(2-methylpropyl)pyrazine-2,3-diamine
PubChem CID102985665
Molecular FormulaC12H23N5
Molecular Weight237.35 g/mol
Exact Mass237.20
IUPAC Name3-N-[2-(dimethylamino)ethyl]-3-N-(2-methylpropyl)pyrazine-2,3-diamine
SMILESCC(C)CN(CCN(C)C)c1nccnc1N
InChIInChI=1S/C12H23N5/c1-10(2)9-17(8-7-16(3)4)12-11(13)14-5-6-15-12/h5-6,10H,7-9H2,1-4H3,(H2,13,14)
InChIKeyLMMYFJMGMIZTKI-UHFFFAOYSA-N
XLogP1.08
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-N-[2-(dimethylamino)ethyl]-3-N-(2-methylpropyl)pyrazine-2,3-diamine?
The IUPAC name of 3-N-[2-(dimethylamino)ethyl]-3-N-(2-methylpropyl)pyrazine-2,3-diamine (CID 102985665) is 3-N-[2-(dimethylamino)ethyl]-3-N-(2-methylpropyl)pyrazine-2,3-diamine.
What is the SMILES notation for 3-N-[2-(dimethylamino)ethyl]-3-N-(2-methylpropyl)pyrazine-2,3-diamine?
The canonical SMILES for 3-N-[2-(dimethylamino)ethyl]-3-N-(2-methylpropyl)pyrazine-2,3-diamine is CC(C)CN(CCN(C)C)c1nccnc1N.
What is the InChIKey of 3-N-[2-(dimethylamino)ethyl]-3-N-(2-methylpropyl)pyrazine-2,3-diamine?
The InChIKey is LMMYFJMGMIZTKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5/c1-10(2)9-17(8-7-16(3)4)12-11(13)14-5-6-15-12/h5-6,10H,7-9H2,1-4H3,(H2,13,14).
What are the key properties of 3-N-[2-(dimethylamino)ethyl]-3-N-(2-methylpropyl)pyrazine-2,3-diamine?
3-N-[2-(dimethylamino)ethyl]-3-N-(2-methylpropyl)pyrazine-2,3-diamine has a molecular weight of 237.35 g/mol, XLogP of 1.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[2-(dimethylamino)ethyl]-3-N-(2-methylpropyl)pyrazine-2,3-diamine is sourced from PubChem (CID 102985665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).