N-(3,6-dimethylpyrazin-2-yl)-N'-ethyl-N'-propylethane-1,2-diamine

C13H24N4 — CID 114134141

IUPACN-(3,6-dimethylpyrazin-2-yl)-N'-ethyl-N'-propylethane-1,2-diamine
SMILESCCCN(CC)CCNc1nc(C)cnc1C
InChIInChI=1S/C13H24N4/c1-5-8-17(6-2)9-7-14-13-12(4)15-10-11(3)16-13/h10H,5-9H2,1-4H3,(H,14,16)
InChIKeyUSDDNQFKXJXDQX-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.24
Rot. Bonds7

About N-(3,6-dimethylpyrazin-2-yl)-N'-ethyl-N'-propylethane-1,2-diamine

N-(3,6-dimethylpyrazin-2-yl)-N'-ethyl-N'-propylethane-1,2-diamine (PubChem CID 114134141) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is N-(3,6-dimethylpyrazin-2-yl)-N'-ethyl-N'-propylethane-1,2-diamine.

Molecular Properties

Compound NameN-(3,6-dimethylpyrazin-2-yl)-N'-ethyl-N'-propylethane-1,2-diamine
PubChem CID114134141
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC NameN-(3,6-dimethylpyrazin-2-yl)-N'-ethyl-N'-propylethane-1,2-diamine
SMILESCCCN(CC)CCNc1nc(C)cnc1C
InChIInChI=1S/C13H24N4/c1-5-8-17(6-2)9-7-14-13-12(4)15-10-11(3)16-13/h10H,5-9H2,1-4H3,(H,14,16)
InChIKeyUSDDNQFKXJXDQX-UHFFFAOYSA-N
XLogP2.24
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,6-dimethylpyrazin-2-yl)-N'-ethyl-N'-propylethane-1,2-diamine?
The IUPAC name of N-(3,6-dimethylpyrazin-2-yl)-N'-ethyl-N'-propylethane-1,2-diamine (CID 114134141) is N-(3,6-dimethylpyrazin-2-yl)-N'-ethyl-N'-propylethane-1,2-diamine.
What is the SMILES notation for N-(3,6-dimethylpyrazin-2-yl)-N'-ethyl-N'-propylethane-1,2-diamine?
The canonical SMILES for N-(3,6-dimethylpyrazin-2-yl)-N'-ethyl-N'-propylethane-1,2-diamine is CCCN(CC)CCNc1nc(C)cnc1C.
What is the InChIKey of N-(3,6-dimethylpyrazin-2-yl)-N'-ethyl-N'-propylethane-1,2-diamine?
The InChIKey is USDDNQFKXJXDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-5-8-17(6-2)9-7-14-13-12(4)15-10-11(3)16-13/h10H,5-9H2,1-4H3,(H,14,16).
What are the key properties of N-(3,6-dimethylpyrazin-2-yl)-N'-ethyl-N'-propylethane-1,2-diamine?
N-(3,6-dimethylpyrazin-2-yl)-N'-ethyl-N'-propylethane-1,2-diamine has a molecular weight of 236.36 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,6-dimethylpyrazin-2-yl)-N'-ethyl-N'-propylethane-1,2-diamine is sourced from PubChem (CID 114134141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).