4-tert-butyl-1-(2,2-dimethylpropyl)piperidine;2-tert-butyl-1-(2,2-dimethylpropyl)pyrrolidine;4-tert-butyl-1-(2-methylpropyl)piperidine;2-tert-butyl-1-(2-methylpropyl)pyrrolidine;methane

C57H128N4 — CID 162200193

IUPAC4-tert-butyl-1-(2,2-dimethylpropyl)piperidine;2-tert-butyl-1-(2,2-dimethylpropyl)pyrrolidine;4-tert-butyl-1-(2-methylpropyl)piperidine;2-tert-butyl-1-(2-methylpropyl)pyrrolidine;methane
SMILESC.C.C.C.C.CC(C)(C)CN1CCC(C(C)(C)C)CC1.CC(C)(C)CN1CCCC1C(C)(C)C.CC(C)CN1CCC(C(C)(C)C)CC1.CC(C)CN1CCCC1C(C)(C)C
InChIInChI=1S/C14H29N.2C13H27N.C12H25N.5CH4/c1-13(2,3)11-15-9-7-12(8-10-15)14(4,5)6;1-12(2,3)10-14-9-7-8-11(14)13(4,5)6;1-11(2)10-14-8-6-12(7-9-14)13(3,4)5;1-10(2)9-13-8-6-7-11(13)12(3,4)5;;;;;/h12H,7-11H2,1-6H3;11H,7-10H2,1-6H3;11-12H,6-10H2,1-5H3;10-11H,6-9H2,1-5H3;5*1H4
InChIKeyZRMBNMOKLYTWHX-UHFFFAOYSA-N
MW869.68 g/mol
LogP17.07
Rot. Bonds6

About 4-tert-butyl-1-(2,2-dimethylpropyl)piperidine;2-tert-butyl-1-(2,2-dimethylpropyl)pyrrolidine;4-tert-butyl-1-(2-methylpropyl)piperidine;2-tert-butyl-1-(2-methylpropyl)pyrrolidine;methane

4-tert-butyl-1-(2,2-dimethylpropyl)piperidine;2-tert-butyl-1-(2,2-dimethylpropyl)pyrrolidine;4-tert-butyl-1-(2-methylpropyl)piperidine;2-tert-butyl-1-(2-methylpropyl)pyrrolidine;methane (PubChem CID 162200193) has the molecular formula C57H128N4 and a molecular weight of 869.68 g/mol. Its IUPAC name is 4-tert-butyl-1-(2,2-dimethylpropyl)piperidine;2-tert-butyl-1-(2,2-dimethylpropyl)pyrrolidine;4-tert-butyl-1-(2-methylpropyl)piperidine;2-tert-butyl-1-(2-methylpropyl)pyrrolidine;methane.

Molecular Properties

Compound Name4-tert-butyl-1-(2,2-dimethylpropyl)piperidine;2-tert-butyl-1-(2,2-dimethylpropyl)pyrrolidine;4-tert-butyl-1-(2-methylpropyl)piperidine;2-tert-butyl-1-(2-methylpropyl)pyrrolidine;methane
PubChem CID162200193
Molecular FormulaC57H128N4
Molecular Weight869.68 g/mol
Exact Mass869.01
IUPAC Name4-tert-butyl-1-(2,2-dimethylpropyl)piperidine;2-tert-butyl-1-(2,2-dimethylpropyl)pyrrolidine;4-tert-butyl-1-(2-methylpropyl)piperidine;2-tert-butyl-1-(2-methylpropyl)pyrrolidine;methane
SMILESC.C.C.C.C.CC(C)(C)CN1CCC(C(C)(C)C)CC1.CC(C)(C)CN1CCCC1C(C)(C)C.CC(C)CN1CCC(C(C)(C)C)CC1.CC(C)CN1CCCC1C(C)(C)C
InChIInChI=1S/C14H29N.2C13H27N.C12H25N.5CH4/c1-13(2,3)11-15-9-7-12(8-10-15)14(4,5)6;1-12(2,3)10-14-9-7-8-11(14)13(4,5)6;1-11(2)10-14-8-6-12(7-9-14)13(3,4)5;1-10(2)9-13-8-6-7-11(13)12(3,4)5;;;;;/h12H,7-11H2,1-6H3;11H,7-10H2,1-6H3;11-12H,6-10H2,1-5H3;10-11H,6-9H2,1-5H3;5*1H4
InChIKeyZRMBNMOKLYTWHX-UHFFFAOYSA-N
XLogP17.07
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500869.68
LogP ≤ 517.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-(2,2-dimethylpropyl)piperidine;2-tert-butyl-1-(2,2-dimethylpropyl)pyrrolidine;4-tert-butyl-1-(2-methylpropyl)piperidine;2-tert-butyl-1-(2-methylpropyl)pyrrolidine;methane?
The IUPAC name of 4-tert-butyl-1-(2,2-dimethylpropyl)piperidine;2-tert-butyl-1-(2,2-dimethylpropyl)pyrrolidine;4-tert-butyl-1-(2-methylpropyl)piperidine;2-tert-butyl-1-(2-methylpropyl)pyrrolidine;methane (CID 162200193) is 4-tert-butyl-1-(2,2-dimethylpropyl)piperidine;2-tert-butyl-1-(2,2-dimethylpropyl)pyrrolidine;4-tert-butyl-1-(2-methylpropyl)piperidine;2-tert-butyl-1-(2-methylpropyl)pyrrolidine;methane.
What is the SMILES notation for 4-tert-butyl-1-(2,2-dimethylpropyl)piperidine;2-tert-butyl-1-(2,2-dimethylpropyl)pyrrolidine;4-tert-butyl-1-(2-methylpropyl)piperidine;2-tert-butyl-1-(2-methylpropyl)pyrrolidine;methane?
The canonical SMILES for 4-tert-butyl-1-(2,2-dimethylpropyl)piperidine;2-tert-butyl-1-(2,2-dimethylpropyl)pyrrolidine;4-tert-butyl-1-(2-methylpropyl)piperidine;2-tert-butyl-1-(2-methylpropyl)pyrrolidine;methane is C.C.C.C.C.CC(C)(C)CN1CCC(C(C)(C)C)CC1.CC(C)(C)CN1CCCC1C(C)(C)C.CC(C)CN1CCC(C(C)(C)C)CC1.CC(C)CN1CCCC1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-1-(2,2-dimethylpropyl)piperidine;2-tert-butyl-1-(2,2-dimethylpropyl)pyrrolidine;4-tert-butyl-1-(2-methylpropyl)piperidine;2-tert-butyl-1-(2-methylpropyl)pyrrolidine;methane?
The InChIKey is ZRMBNMOKLYTWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N.2C13H27N.C12H25N.5CH4/c1-13(2,3)11-15-9-7-12(8-10-15)14(4,5)6;1-12(2,3)10-14-9-7-8-11(14)13(4,5)6;1-11(2)10-14-8-6-12(7-9-14)13(3,4)5;1-10(2)9-13-8-6-7-11(13)12(3,4)5;;;;;/h12H,7-11H2,1-6H3;11H,7-10H2,1-6H3;11-12H,6-10H2,1-5H3;10-11H,6-9H2,1-5H3;5*1H4.
What are the key properties of 4-tert-butyl-1-(2,2-dimethylpropyl)piperidine;2-tert-butyl-1-(2,2-dimethylpropyl)pyrrolidine;4-tert-butyl-1-(2-methylpropyl)piperidine;2-tert-butyl-1-(2-methylpropyl)pyrrolidine;methane?
4-tert-butyl-1-(2,2-dimethylpropyl)piperidine;2-tert-butyl-1-(2,2-dimethylpropyl)pyrrolidine;4-tert-butyl-1-(2-methylpropyl)piperidine;2-tert-butyl-1-(2-methylpropyl)pyrrolidine;methane has a molecular weight of 869.68 g/mol, XLogP of 17.07, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-(2,2-dimethylpropyl)piperidine;2-tert-butyl-1-(2,2-dimethylpropyl)pyrrolidine;4-tert-butyl-1-(2-methylpropyl)piperidine;2-tert-butyl-1-(2-methylpropyl)pyrrolidine;methane is sourced from PubChem (CID 162200193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).