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

C11H20N4 — CID 61019786

IUPACN'-(3,6-dimethylpyrazin-2-yl)-N-ethylpropane-1,3-diamine
SMILESCCNCCCNc1nc(C)cnc1C
InChIInChI=1S/C11H20N4/c1-4-12-6-5-7-13-11-10(3)14-8-9(2)15-11/h8,12H,4-7H2,1-3H3,(H,13,15)
InChIKeyPELCXPHZMUIFNK-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.50
Rot. Bonds6

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

N'-(3,6-dimethylpyrazin-2-yl)-N-ethylpropane-1,3-diamine (PubChem CID 61019786) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is N'-(3,6-dimethylpyrazin-2-yl)-N-ethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(3,6-dimethylpyrazin-2-yl)-N-ethylpropane-1,3-diamine
PubChem CID61019786
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC NameN'-(3,6-dimethylpyrazin-2-yl)-N-ethylpropane-1,3-diamine
SMILESCCNCCCNc1nc(C)cnc1C
InChIInChI=1S/C11H20N4/c1-4-12-6-5-7-13-11-10(3)14-8-9(2)15-11/h8,12H,4-7H2,1-3H3,(H,13,15)
InChIKeyPELCXPHZMUIFNK-UHFFFAOYSA-N
XLogP1.50
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,6-dimethyl-N-pentylpyrazin-2-amine
CID 60631563
N-(4-chloropentyl)-3,6-dimethylpyrazin-2-amine
CID 106124735
N'-(3,6-dimethylpyrazin-2-yl)-N-methylethane-1,2-diamine
CID 62659686
3,6-dimethyl-N-[3-(4-methylphenoxy)propyl]pyrazin-2-amine
CID 133469573
N'-(3,6-dimethylpyrazin-2-yl)-N-(2-methoxyethyl)ethane-1,2-diamine
CID 83029881
N-(3,6-dimethylpyrazin-2-yl)-N'-ethyl-N'-propylethane-1,2-diamine
CID 114134141
N-(3,6-dimethylpyrazin-2-yl)-N'-methyl-N'-phenylpropane-1,3-diamine
CID 60631387
3,6-dimethyl-N-(2-phenylethyl)pyrazin-2-amine
CID 60631499
N-(4-imidazol-1-ylbutyl)-3,6-dimethylpyrazin-2-amine
CID 65416898
3,6-dimethyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]pyrazin-2-amine
CID 91648217
N'-cyclopentyl-N-(3,6-dimethylpyrazin-2-yl)-N'-methylethane-1,2-diamine
CID 65417550
N-ethyl-N'-(3-methylquinolin-2-yl)propane-1,3-diamine
CID 63229477

Frequently Asked Questions

What is the IUPAC name of N'-(3,6-dimethylpyrazin-2-yl)-N-ethylpropane-1,3-diamine?
The IUPAC name of N'-(3,6-dimethylpyrazin-2-yl)-N-ethylpropane-1,3-diamine (CID 61019786) is N'-(3,6-dimethylpyrazin-2-yl)-N-ethylpropane-1,3-diamine.
What is the SMILES notation for N'-(3,6-dimethylpyrazin-2-yl)-N-ethylpropane-1,3-diamine?
The canonical SMILES for N'-(3,6-dimethylpyrazin-2-yl)-N-ethylpropane-1,3-diamine is CCNCCCNc1nc(C)cnc1C.
What is the InChIKey of N'-(3,6-dimethylpyrazin-2-yl)-N-ethylpropane-1,3-diamine?
The InChIKey is PELCXPHZMUIFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-4-12-6-5-7-13-11-10(3)14-8-9(2)15-11/h8,12H,4-7H2,1-3H3,(H,13,15).
What are the key properties of N'-(3,6-dimethylpyrazin-2-yl)-N-ethylpropane-1,3-diamine?
N'-(3,6-dimethylpyrazin-2-yl)-N-ethylpropane-1,3-diamine has a molecular weight of 208.31 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,6-dimethylpyrazin-2-yl)-N-ethylpropane-1,3-diamine is sourced from PubChem (CID 61019786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).