1-tert-butyl-4-methyl-3,6-dihydro-2H-pyridine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;methane

C30H64N4 — CID 158905108

IUPAC1-tert-butyl-4-methyl-3,6-dihydro-2H-pyridine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;methane
SMILESC.CC1=CCN(C(C)(C)C)CC1.CC1CCN(C(C)(C)C)CC1.CN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C10H21N.C10H19N.C9H20N2.CH4/c2*1-9-5-7-11(8-6-9)10(2,3)4;1-9(2,3)11-7-5-10(4)6-8-11;/h9H,5-8H2,1-4H3;5H,6-8H2,1-4H3;5-8H2,1-4H3;1H4
InChIKeyJFYGUEINQDBPPL-UHFFFAOYSA-N
MW480.87 g/mol
LogP6.62
Rot. Bonds

About 1-tert-butyl-4-methyl-3,6-dihydro-2H-pyridine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;methane

1-tert-butyl-4-methyl-3,6-dihydro-2H-pyridine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;methane (PubChem CID 158905108) has the molecular formula C30H64N4 and a molecular weight of 480.87 g/mol. Its IUPAC name is 1-tert-butyl-4-methyl-3,6-dihydro-2H-pyridine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;methane.

Molecular Properties

Compound Name1-tert-butyl-4-methyl-3,6-dihydro-2H-pyridine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;methane
PubChem CID158905108
Molecular FormulaC30H64N4
Molecular Weight480.87 g/mol
Exact Mass480.51
IUPAC Name1-tert-butyl-4-methyl-3,6-dihydro-2H-pyridine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;methane
SMILESC.CC1=CCN(C(C)(C)C)CC1.CC1CCN(C(C)(C)C)CC1.CN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C10H21N.C10H19N.C9H20N2.CH4/c2*1-9-5-7-11(8-6-9)10(2,3)4;1-9(2,3)11-7-5-10(4)6-8-11;/h9H,5-8H2,1-4H3;5H,6-8H2,1-4H3;5-8H2,1-4H3;1H4
InChIKeyJFYGUEINQDBPPL-UHFFFAOYSA-N
XLogP6.62
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.87
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-tert-butyl-4-methyl-3,6-dihydro-2H-pyridine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;methane?
The IUPAC name of 1-tert-butyl-4-methyl-3,6-dihydro-2H-pyridine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;methane (CID 158905108) is 1-tert-butyl-4-methyl-3,6-dihydro-2H-pyridine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;methane.
What is the SMILES notation for 1-tert-butyl-4-methyl-3,6-dihydro-2H-pyridine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;methane?
The canonical SMILES for 1-tert-butyl-4-methyl-3,6-dihydro-2H-pyridine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;methane is C.CC1=CCN(C(C)(C)C)CC1.CC1CCN(C(C)(C)C)CC1.CN1CCN(C(C)(C)C)CC1.
What is the InChIKey of 1-tert-butyl-4-methyl-3,6-dihydro-2H-pyridine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;methane?
The InChIKey is JFYGUEINQDBPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N.C10H19N.C9H20N2.CH4/c2*1-9-5-7-11(8-6-9)10(2,3)4;1-9(2,3)11-7-5-10(4)6-8-11;/h9H,5-8H2,1-4H3;5H,6-8H2,1-4H3;5-8H2,1-4H3;1H4.
What are the key properties of 1-tert-butyl-4-methyl-3,6-dihydro-2H-pyridine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;methane?
1-tert-butyl-4-methyl-3,6-dihydro-2H-pyridine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;methane has a molecular weight of 480.87 g/mol, XLogP of 6.62, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-methyl-3,6-dihydro-2H-pyridine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;methane is sourced from PubChem (CID 158905108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).