2-butan-2-yl-6-pyrrolidin-1-ylpyrazine;N,N-diethyl-6-methylpyrazin-2-amine;ethane

C25H46N6 — CID 144752664

IUPAC2-butan-2-yl-6-pyrrolidin-1-ylpyrazine;N,N-diethyl-6-methylpyrazin-2-amine;ethane
SMILESCC.CC.CCC(C)c1cncc(N2CCCC2)n1.CCN(CC)c1cncc(C)n1
InChIInChI=1S/C12H19N3.C9H15N3.2C2H6/c1-3-10(2)11-8-13-9-12(14-11)15-6-4-5-7-15;1-4-12(5-2)9-7-10-6-8(3)11-9;2*1-2/h8-10H,3-7H2,1-2H3;6-7H,4-5H2,1-3H3;2*1-2H3
InChIKeyYOKAJDNFCALOKF-UHFFFAOYSA-N
MW430.69 g/mol
LogP6.27
Rot. Bonds6

About 2-butan-2-yl-6-pyrrolidin-1-ylpyrazine;N,N-diethyl-6-methylpyrazin-2-amine;ethane

2-butan-2-yl-6-pyrrolidin-1-ylpyrazine;N,N-diethyl-6-methylpyrazin-2-amine;ethane (PubChem CID 144752664) has the molecular formula C25H46N6 and a molecular weight of 430.69 g/mol. Its IUPAC name is 2-butan-2-yl-6-pyrrolidin-1-ylpyrazine;N,N-diethyl-6-methylpyrazin-2-amine;ethane.

Molecular Properties

Compound Name2-butan-2-yl-6-pyrrolidin-1-ylpyrazine;N,N-diethyl-6-methylpyrazin-2-amine;ethane
PubChem CID144752664
Molecular FormulaC25H46N6
Molecular Weight430.69 g/mol
Exact Mass430.38
IUPAC Name2-butan-2-yl-6-pyrrolidin-1-ylpyrazine;N,N-diethyl-6-methylpyrazin-2-amine;ethane
SMILESCC.CC.CCC(C)c1cncc(N2CCCC2)n1.CCN(CC)c1cncc(C)n1
InChIInChI=1S/C12H19N3.C9H15N3.2C2H6/c1-3-10(2)11-8-13-9-12(14-11)15-6-4-5-7-15;1-4-12(5-2)9-7-10-6-8(3)11-9;2*1-2/h8-10H,3-7H2,1-2H3;6-7H,4-5H2,1-3H3;2*1-2H3
InChIKeyYOKAJDNFCALOKF-UHFFFAOYSA-N
XLogP6.27
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.69
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-6-pyrrolidin-1-ylpyrazine;N,N-diethyl-6-methylpyrazin-2-amine;ethane?
The IUPAC name of 2-butan-2-yl-6-pyrrolidin-1-ylpyrazine;N,N-diethyl-6-methylpyrazin-2-amine;ethane (CID 144752664) is 2-butan-2-yl-6-pyrrolidin-1-ylpyrazine;N,N-diethyl-6-methylpyrazin-2-amine;ethane.
What is the SMILES notation for 2-butan-2-yl-6-pyrrolidin-1-ylpyrazine;N,N-diethyl-6-methylpyrazin-2-amine;ethane?
The canonical SMILES for 2-butan-2-yl-6-pyrrolidin-1-ylpyrazine;N,N-diethyl-6-methylpyrazin-2-amine;ethane is CC.CC.CCC(C)c1cncc(N2CCCC2)n1.CCN(CC)c1cncc(C)n1.
What is the InChIKey of 2-butan-2-yl-6-pyrrolidin-1-ylpyrazine;N,N-diethyl-6-methylpyrazin-2-amine;ethane?
The InChIKey is YOKAJDNFCALOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3.C9H15N3.2C2H6/c1-3-10(2)11-8-13-9-12(14-11)15-6-4-5-7-15;1-4-12(5-2)9-7-10-6-8(3)11-9;2*1-2/h8-10H,3-7H2,1-2H3;6-7H,4-5H2,1-3H3;2*1-2H3.
What are the key properties of 2-butan-2-yl-6-pyrrolidin-1-ylpyrazine;N,N-diethyl-6-methylpyrazin-2-amine;ethane?
2-butan-2-yl-6-pyrrolidin-1-ylpyrazine;N,N-diethyl-6-methylpyrazin-2-amine;ethane has a molecular weight of 430.69 g/mol, XLogP of 6.27, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-6-pyrrolidin-1-ylpyrazine;N,N-diethyl-6-methylpyrazin-2-amine;ethane is sourced from PubChem (CID 144752664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).