butane;6-butan-2-yl-N,N-diethylpyrazin-2-amine;2-butan-2-yl-6-pyrrolidin-1-ylpyrazine;ethane

C30H56N6 — CID 144514729

IUPACbutane;6-butan-2-yl-N,N-diethylpyrazin-2-amine;2-butan-2-yl-6-pyrrolidin-1-ylpyrazine;ethane
SMILESCC.CCC(C)c1cncc(N(CC)CC)n1.CCC(C)c1cncc(N2CCCC2)n1.CCCC
InChIInChI=1S/C12H19N3.C12H21N3.C4H10.C2H6/c1-3-10(2)11-8-13-9-12(14-11)15-6-4-5-7-15;1-5-10(4)11-8-13-9-12(14-11)15(6-2)7-3;1-3-4-2;1-2/h8-10H,3-7H2,1-2H3;8-10H,5-7H2,1-4H3;3-4H2,1-2H3;1-2H3
InChIKeyBLVBWEDJWNCHLJ-UHFFFAOYSA-N
MW500.82 g/mol
LogP8.26
Rot. Bonds9

About butane;6-butan-2-yl-N,N-diethylpyrazin-2-amine;2-butan-2-yl-6-pyrrolidin-1-ylpyrazine;ethane

butane;6-butan-2-yl-N,N-diethylpyrazin-2-amine;2-butan-2-yl-6-pyrrolidin-1-ylpyrazine;ethane (PubChem CID 144514729) has the molecular formula C30H56N6 and a molecular weight of 500.82 g/mol. Its IUPAC name is butane;6-butan-2-yl-N,N-diethylpyrazin-2-amine;2-butan-2-yl-6-pyrrolidin-1-ylpyrazine;ethane.

Molecular Properties

Compound Namebutane;6-butan-2-yl-N,N-diethylpyrazin-2-amine;2-butan-2-yl-6-pyrrolidin-1-ylpyrazine;ethane
PubChem CID144514729
Molecular FormulaC30H56N6
Molecular Weight500.82 g/mol
Exact Mass500.46
IUPAC Namebutane;6-butan-2-yl-N,N-diethylpyrazin-2-amine;2-butan-2-yl-6-pyrrolidin-1-ylpyrazine;ethane
SMILESCC.CCC(C)c1cncc(N(CC)CC)n1.CCC(C)c1cncc(N2CCCC2)n1.CCCC
InChIInChI=1S/C12H19N3.C12H21N3.C4H10.C2H6/c1-3-10(2)11-8-13-9-12(14-11)15-6-4-5-7-15;1-5-10(4)11-8-13-9-12(14-11)15(6-2)7-3;1-3-4-2;1-2/h8-10H,3-7H2,1-2H3;8-10H,5-7H2,1-4H3;3-4H2,1-2H3;1-2H3
InChIKeyBLVBWEDJWNCHLJ-UHFFFAOYSA-N
XLogP8.26
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.82
LogP ≤ 58.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze butane;6-butan-2-yl-N,N-diethylpyrazin-2-amine;2-butan-2-yl-6-pyrrolidin-1-ylpyrazine;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of butane;6-butan-2-yl-N,N-diethylpyrazin-2-amine;2-butan-2-yl-6-pyrrolidin-1-ylpyrazine;ethane?
The IUPAC name of butane;6-butan-2-yl-N,N-diethylpyrazin-2-amine;2-butan-2-yl-6-pyrrolidin-1-ylpyrazine;ethane (CID 144514729) is butane;6-butan-2-yl-N,N-diethylpyrazin-2-amine;2-butan-2-yl-6-pyrrolidin-1-ylpyrazine;ethane.
What is the SMILES notation for butane;6-butan-2-yl-N,N-diethylpyrazin-2-amine;2-butan-2-yl-6-pyrrolidin-1-ylpyrazine;ethane?
The canonical SMILES for butane;6-butan-2-yl-N,N-diethylpyrazin-2-amine;2-butan-2-yl-6-pyrrolidin-1-ylpyrazine;ethane is CC.CCC(C)c1cncc(N(CC)CC)n1.CCC(C)c1cncc(N2CCCC2)n1.CCCC.
What is the InChIKey of butane;6-butan-2-yl-N,N-diethylpyrazin-2-amine;2-butan-2-yl-6-pyrrolidin-1-ylpyrazine;ethane?
The InChIKey is BLVBWEDJWNCHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3.C12H21N3.C4H10.C2H6/c1-3-10(2)11-8-13-9-12(14-11)15-6-4-5-7-15;1-5-10(4)11-8-13-9-12(14-11)15(6-2)7-3;1-3-4-2;1-2/h8-10H,3-7H2,1-2H3;8-10H,5-7H2,1-4H3;3-4H2,1-2H3;1-2H3.
What are the key properties of butane;6-butan-2-yl-N,N-diethylpyrazin-2-amine;2-butan-2-yl-6-pyrrolidin-1-ylpyrazine;ethane?
butane;6-butan-2-yl-N,N-diethylpyrazin-2-amine;2-butan-2-yl-6-pyrrolidin-1-ylpyrazine;ethane has a molecular weight of 500.82 g/mol, XLogP of 8.26, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for butane;6-butan-2-yl-N,N-diethylpyrazin-2-amine;2-butan-2-yl-6-pyrrolidin-1-ylpyrazine;ethane is sourced from PubChem (CID 144514729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).