ethane;4-propan-2-yl-3,5-dihydro-2H-pyrazine;1-propan-2-yl-3,6-dihydro-2H-pyridine

C19H41N3 — CID 162229158

IUPACethane;4-propan-2-yl-3,5-dihydro-2H-pyrazine;1-propan-2-yl-3,6-dihydro-2H-pyridine
SMILESCC.CC.CC(C)N1CC=CCC1.CC(C)N1CC=NCC1
InChIInChI=1S/C8H15N.C7H14N2.2C2H6/c1-8(2)9-6-4-3-5-7-9;1-7(2)9-5-3-8-4-6-9;2*1-2/h3-4,8H,5-7H2,1-2H3;3,7H,4-6H2,1-2H3;2*1-2H3
InChIKeyZVEIPOVKCBFYDT-UHFFFAOYSA-N
MW311.56 g/mol
LogP4.49
Rot. Bonds2

About ethane;4-propan-2-yl-3,5-dihydro-2H-pyrazine;1-propan-2-yl-3,6-dihydro-2H-pyridine

ethane;4-propan-2-yl-3,5-dihydro-2H-pyrazine;1-propan-2-yl-3,6-dihydro-2H-pyridine (PubChem CID 162229158) has the molecular formula C19H41N3 and a molecular weight of 311.56 g/mol. Its IUPAC name is ethane;4-propan-2-yl-3,5-dihydro-2H-pyrazine;1-propan-2-yl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Nameethane;4-propan-2-yl-3,5-dihydro-2H-pyrazine;1-propan-2-yl-3,6-dihydro-2H-pyridine
PubChem CID162229158
Molecular FormulaC19H41N3
Molecular Weight311.56 g/mol
Exact Mass311.33
IUPAC Nameethane;4-propan-2-yl-3,5-dihydro-2H-pyrazine;1-propan-2-yl-3,6-dihydro-2H-pyridine
SMILESCC.CC.CC(C)N1CC=CCC1.CC(C)N1CC=NCC1
InChIInChI=1S/C8H15N.C7H14N2.2C2H6/c1-8(2)9-6-4-3-5-7-9;1-7(2)9-5-3-8-4-6-9;2*1-2/h3-4,8H,5-7H2,1-2H3;3,7H,4-6H2,1-2H3;2*1-2H3
InChIKeyZVEIPOVKCBFYDT-UHFFFAOYSA-N
XLogP4.49
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.56
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;4-propan-2-yl-3,5-dihydro-2H-pyrazine;1-propan-2-yl-3,6-dihydro-2H-pyridine?
The IUPAC name of ethane;4-propan-2-yl-3,5-dihydro-2H-pyrazine;1-propan-2-yl-3,6-dihydro-2H-pyridine (CID 162229158) is ethane;4-propan-2-yl-3,5-dihydro-2H-pyrazine;1-propan-2-yl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for ethane;4-propan-2-yl-3,5-dihydro-2H-pyrazine;1-propan-2-yl-3,6-dihydro-2H-pyridine?
The canonical SMILES for ethane;4-propan-2-yl-3,5-dihydro-2H-pyrazine;1-propan-2-yl-3,6-dihydro-2H-pyridine is CC.CC.CC(C)N1CC=CCC1.CC(C)N1CC=NCC1.
What is the InChIKey of ethane;4-propan-2-yl-3,5-dihydro-2H-pyrazine;1-propan-2-yl-3,6-dihydro-2H-pyridine?
The InChIKey is ZVEIPOVKCBFYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N.C7H14N2.2C2H6/c1-8(2)9-6-4-3-5-7-9;1-7(2)9-5-3-8-4-6-9;2*1-2/h3-4,8H,5-7H2,1-2H3;3,7H,4-6H2,1-2H3;2*1-2H3.
What are the key properties of ethane;4-propan-2-yl-3,5-dihydro-2H-pyrazine;1-propan-2-yl-3,6-dihydro-2H-pyridine?
ethane;4-propan-2-yl-3,5-dihydro-2H-pyrazine;1-propan-2-yl-3,6-dihydro-2H-pyridine has a molecular weight of 311.56 g/mol, XLogP of 4.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-propan-2-yl-3,5-dihydro-2H-pyrazine;1-propan-2-yl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 162229158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).