butane;ethane;hexadecakis(2-methylpropane);propane;pyrazine;pyridazine

C129H284N16 — CID 160868491

IUPACbutane;ethane;hexadecakis(2-methylpropane);propane;pyrazine;pyridazine
SMILESCC.CC.CC.CC.CC.CC.CC.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CCC.CCC.CCC.CCC.CCC.CCCC.c1ccnnc1.c1ccnnc1.c1ccnnc1.c1ccnnc1.c1cnccn1.c1cnccn1.c1cnccn1.c1cnccn1
InChIInChI=1S/8C4H4N2.17C4H10.5C3H8.7C2H6/c4*1-2-6-4-3-5-1;4*1-2-4-6-5-3-1;16*1-4(2)3;1-3-4-2;5*1-3-2;7*1-2/h8*1-4H;16*4H,1-3H3;3-4H2,1-2H3;5*3H2,1-2H3;7*1-2H3
InChIKeySLLHJUXUAYXXND-UHFFFAOYSA-N
MW2059.80 g/mol
LogP46.48
Rot. Bonds1

About butane;ethane;hexadecakis(2-methylpropane);propane;pyrazine;pyridazine

butane;ethane;hexadecakis(2-methylpropane);propane;pyrazine;pyridazine (PubChem CID 160868491) has the molecular formula C129H284N16 and a molecular weight of 2059.80 g/mol. Its IUPAC name is butane;ethane;hexadecakis(2-methylpropane);propane;pyrazine;pyridazine.

Molecular Properties

Compound Namebutane;ethane;hexadecakis(2-methylpropane);propane;pyrazine;pyridazine
PubChem CID160868491
Molecular FormulaC129H284N16
Molecular Weight2059.80 g/mol
Exact Mass2058.27
IUPAC Namebutane;ethane;hexadecakis(2-methylpropane);propane;pyrazine;pyridazine
SMILESCC.CC.CC.CC.CC.CC.CC.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CCC.CCC.CCC.CCC.CCC.CCCC.c1ccnnc1.c1ccnnc1.c1ccnnc1.c1ccnnc1.c1cnccn1.c1cnccn1.c1cnccn1.c1cnccn1
InChIInChI=1S/8C4H4N2.17C4H10.5C3H8.7C2H6/c4*1-2-6-4-3-5-1;4*1-2-4-6-5-3-1;16*1-4(2)3;1-3-4-2;5*1-3-2;7*1-2/h8*1-4H;16*4H,1-3H3;3-4H2,1-2H3;5*3H2,1-2H3;7*1-2H3
InChIKeySLLHJUXUAYXXND-UHFFFAOYSA-N
XLogP46.48
TPSA206.24 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds1
Heavy Atoms145
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002059.80
LogP ≤ 546.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze butane;ethane;hexadecakis(2-methylpropane);propane;pyrazine;pyridazine 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;ethane;hexadecakis(2-methylpropane);propane;pyrazine;pyridazine?
The IUPAC name of butane;ethane;hexadecakis(2-methylpropane);propane;pyrazine;pyridazine (CID 160868491) is butane;ethane;hexadecakis(2-methylpropane);propane;pyrazine;pyridazine.
What is the SMILES notation for butane;ethane;hexadecakis(2-methylpropane);propane;pyrazine;pyridazine?
The canonical SMILES for butane;ethane;hexadecakis(2-methylpropane);propane;pyrazine;pyridazine is CC.CC.CC.CC.CC.CC.CC.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CCC.CCC.CCC.CCC.CCC.CCCC.c1ccnnc1.c1ccnnc1.c1ccnnc1.c1ccnnc1.c1cnccn1.c1cnccn1.c1cnccn1.c1cnccn1.
What is the InChIKey of butane;ethane;hexadecakis(2-methylpropane);propane;pyrazine;pyridazine?
The InChIKey is SLLHJUXUAYXXND-UHFFFAOYSA-N. The full InChI is InChI=1S/8C4H4N2.17C4H10.5C3H8.7C2H6/c4*1-2-6-4-3-5-1;4*1-2-4-6-5-3-1;16*1-4(2)3;1-3-4-2;5*1-3-2;7*1-2/h8*1-4H;16*4H,1-3H3;3-4H2,1-2H3;5*3H2,1-2H3;7*1-2H3.
What are the key properties of butane;ethane;hexadecakis(2-methylpropane);propane;pyrazine;pyridazine?
butane;ethane;hexadecakis(2-methylpropane);propane;pyrazine;pyridazine has a molecular weight of 2059.80 g/mol, XLogP of 46.48, 1 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for butane;ethane;hexadecakis(2-methylpropane);propane;pyrazine;pyridazine is sourced from PubChem (CID 160868491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).