1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,4-di(propan-2-yl)piperazine;ethane;methane

C31H75N3 — CID 159348283

IUPAC1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,4-di(propan-2-yl)piperazine;ethane;methane
SMILESC.C.CC.CC.CC.CC.CC(C)C1=CCN(C(C)C)CC1.CC(C)N1CCN(C(C)C)CC1
InChIInChI=1S/C11H21N.C10H22N2.4C2H6.2CH4/c2*1-9(2)11-5-7-12(8-6-11)10(3)4;4*1-2;;/h5,9-10H,6-8H2,1-4H3;9-10H,5-8H2,1-4H3;4*1-2H3;2*1H4
InChIKeyLGZSXJHSSQSJSH-UHFFFAOYSA-N
MW489.96 g/mol
LogP9.48
Rot. Bonds4

About 1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,4-di(propan-2-yl)piperazine;ethane;methane

1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,4-di(propan-2-yl)piperazine;ethane;methane (PubChem CID 159348283) has the molecular formula C31H75N3 and a molecular weight of 489.96 g/mol. Its IUPAC name is 1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,4-di(propan-2-yl)piperazine;ethane;methane.

Molecular Properties

Compound Name1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,4-di(propan-2-yl)piperazine;ethane;methane
PubChem CID159348283
Molecular FormulaC31H75N3
Molecular Weight489.96 g/mol
Exact Mass489.60
IUPAC Name1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,4-di(propan-2-yl)piperazine;ethane;methane
SMILESC.C.CC.CC.CC.CC.CC(C)C1=CCN(C(C)C)CC1.CC(C)N1CCN(C(C)C)CC1
InChIInChI=1S/C11H21N.C10H22N2.4C2H6.2CH4/c2*1-9(2)11-5-7-12(8-6-11)10(3)4;4*1-2;;/h5,9-10H,6-8H2,1-4H3;9-10H,5-8H2,1-4H3;4*1-2H3;2*1H4
InChIKeyLGZSXJHSSQSJSH-UHFFFAOYSA-N
XLogP9.48
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.96
LogP ≤ 59.48
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 1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,4-di(propan-2-yl)piperazine;ethane;methane?
The IUPAC name of 1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,4-di(propan-2-yl)piperazine;ethane;methane (CID 159348283) is 1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,4-di(propan-2-yl)piperazine;ethane;methane.
What is the SMILES notation for 1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,4-di(propan-2-yl)piperazine;ethane;methane?
The canonical SMILES for 1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,4-di(propan-2-yl)piperazine;ethane;methane is C.C.CC.CC.CC.CC.CC(C)C1=CCN(C(C)C)CC1.CC(C)N1CCN(C(C)C)CC1.
What is the InChIKey of 1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,4-di(propan-2-yl)piperazine;ethane;methane?
The InChIKey is LGZSXJHSSQSJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N.C10H22N2.4C2H6.2CH4/c2*1-9(2)11-5-7-12(8-6-11)10(3)4;4*1-2;;/h5,9-10H,6-8H2,1-4H3;9-10H,5-8H2,1-4H3;4*1-2H3;2*1H4.
What are the key properties of 1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,4-di(propan-2-yl)piperazine;ethane;methane?
1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,4-di(propan-2-yl)piperazine;ethane;methane has a molecular weight of 489.96 g/mol, XLogP of 9.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,4-di(propan-2-yl)piperazine;ethane;methane is sourced from PubChem (CID 159348283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).