1-N-[1-(3-methylpyrazin-2-yl)ethyl]butane-1,2-diamine

C11H20N4 — CID 91440980

IUPAC1-N-[1-(3-methylpyrazin-2-yl)ethyl]butane-1,2-diamine
SMILESCCC(N)CNC(C)c1nccnc1C
InChIInChI=1S/C11H20N4/c1-4-10(12)7-15-9(3)11-8(2)13-5-6-14-11/h5-6,9-10,15H,4,7,12H2,1-3H3
InChIKeyRYOMFGCNYCUETG-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.17
Rot. Bonds5

About 1-N-[1-(3-methylpyrazin-2-yl)ethyl]butane-1,2-diamine

1-N-[1-(3-methylpyrazin-2-yl)ethyl]butane-1,2-diamine (PubChem CID 91440980) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 1-N-[1-(3-methylpyrazin-2-yl)ethyl]butane-1,2-diamine.

Molecular Properties

Compound Name1-N-[1-(3-methylpyrazin-2-yl)ethyl]butane-1,2-diamine
PubChem CID91440980
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name1-N-[1-(3-methylpyrazin-2-yl)ethyl]butane-1,2-diamine
SMILESCCC(N)CNC(C)c1nccnc1C
InChIInChI=1S/C11H20N4/c1-4-10(12)7-15-9(3)11-8(2)13-5-6-14-11/h5-6,9-10,15H,4,7,12H2,1-3H3
InChIKeyRYOMFGCNYCUETG-UHFFFAOYSA-N
XLogP1.17
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-Diethylpyrazine
CID 27458
Methyl[1-(pyrazin-2-yl)ethyl]amine
CID 60818558
5H,6H,7H,8H-pyrido[3,4-b]pyrazine
CID 55265594
1-(3-Methylpyrazin-2-yl)ethan-1-amine
CID 82418539
(1S)-1-(3-methylpyrazin-2-yl)ethan-1-amine dihydrochloride
CID 137952185
(1R)-1-(3-methylpyrazin-2-yl)ethan-1-amine dihydrochloride
CID 137952203
5H,6H,7H,8H-pyrido(3,4-b)pyrazine dihydrochloride
CID 165995536
2-{2-Piperazinyl}-pyrazin
CID 17957795
Ethane;2-ethyl-3-methylpyrazine
CID 129676874
1-(Pyrazin-2-yl)ethanamine
CID 18519006
1-(5-Methylpyrazin-2-yl)ethan-1-amine
CID 67369547
3,3,3-trifluoro-N-(1-pyrazin-2-ylethyl)propan-1-amine
CID 64190095

Frequently Asked Questions

What is the IUPAC name of 1-N-[1-(3-methylpyrazin-2-yl)ethyl]butane-1,2-diamine?
The IUPAC name of 1-N-[1-(3-methylpyrazin-2-yl)ethyl]butane-1,2-diamine (CID 91440980) is 1-N-[1-(3-methylpyrazin-2-yl)ethyl]butane-1,2-diamine.
What is the SMILES notation for 1-N-[1-(3-methylpyrazin-2-yl)ethyl]butane-1,2-diamine?
The canonical SMILES for 1-N-[1-(3-methylpyrazin-2-yl)ethyl]butane-1,2-diamine is CCC(N)CNC(C)c1nccnc1C.
What is the InChIKey of 1-N-[1-(3-methylpyrazin-2-yl)ethyl]butane-1,2-diamine?
The InChIKey is RYOMFGCNYCUETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-4-10(12)7-15-9(3)11-8(2)13-5-6-14-11/h5-6,9-10,15H,4,7,12H2,1-3H3.
What are the key properties of 1-N-[1-(3-methylpyrazin-2-yl)ethyl]butane-1,2-diamine?
1-N-[1-(3-methylpyrazin-2-yl)ethyl]butane-1,2-diamine has a molecular weight of 208.31 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[1-(3-methylpyrazin-2-yl)ethyl]butane-1,2-diamine is sourced from PubChem (CID 91440980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).