tert-butylcyclohexane;1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;4-tert-butylmorpholine;4-tert-butyloxane;1-tert-butylpiperidine;1-tert-butylpyrrolidine;methane

C70H160N6O2 — CID 158210029

IUPACtert-butylcyclohexane;1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;4-tert-butylmorpholine;4-tert-butyloxane;1-tert-butylpiperidine;1-tert-butylpyrrolidine;methane
SMILESC.C.C.C.C.C.C.CC(C)(C)C1CCCCC1.CC(C)(C)C1CCOCC1.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCOCC1.CN1CCC(C(C)(C)C)CC1.CN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C10H21N.C10H20.C9H20N2.C9H19N.C9H18O.C8H17NO.C8H17N.7CH4/c1-10(2,3)9-5-7-11(4)8-6-9;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)11-7-5-10(4)6-8-11;1-9(2,3)10-7-5-4-6-8-10;1-9(2,3)8-4-6-10-7-5-8;1-8(2,3)9-4-6-10-7-5-9;1-8(2,3)9-6-4-5-7-9;;;;;;;/h9H,5-8H2,1-4H3;9H,4-8H2,1-3H3;5-8H2,1-4H3;4-8H2,1-3H3;8H,4-7H2,1-3H3;4-7H2,1-3H3;4-7H2,1-3H3;7*1H4
InChIKeyGBYQLRLANHIPMV-UHFFFAOYSA-N
MW1118.09 g/mol
LogP19.20
Rot. Bonds

About tert-butylcyclohexane;1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;4-tert-butylmorpholine;4-tert-butyloxane;1-tert-butylpiperidine;1-tert-butylpyrrolidine;methane

tert-butylcyclohexane;1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;4-tert-butylmorpholine;4-tert-butyloxane;1-tert-butylpiperidine;1-tert-butylpyrrolidine;methane (PubChem CID 158210029) has the molecular formula C70H160N6O2 and a molecular weight of 1118.09 g/mol. Its IUPAC name is tert-butylcyclohexane;1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;4-tert-butylmorpholine;4-tert-butyloxane;1-tert-butylpiperidine;1-tert-butylpyrrolidine;methane.

Molecular Properties

Compound Nametert-butylcyclohexane;1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;4-tert-butylmorpholine;4-tert-butyloxane;1-tert-butylpiperidine;1-tert-butylpyrrolidine;methane
PubChem CID158210029
Molecular FormulaC70H160N6O2
Molecular Weight1118.09 g/mol
Exact Mass1117.26
IUPAC Nametert-butylcyclohexane;1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;4-tert-butylmorpholine;4-tert-butyloxane;1-tert-butylpiperidine;1-tert-butylpyrrolidine;methane
SMILESC.C.C.C.C.C.C.CC(C)(C)C1CCCCC1.CC(C)(C)C1CCOCC1.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCOCC1.CN1CCC(C(C)(C)C)CC1.CN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C10H21N.C10H20.C9H20N2.C9H19N.C9H18O.C8H17NO.C8H17N.7CH4/c1-10(2,3)9-5-7-11(4)8-6-9;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)11-7-5-10(4)6-8-11;1-9(2,3)10-7-5-4-6-8-10;1-9(2,3)8-4-6-10-7-5-8;1-8(2,3)9-4-6-10-7-5-9;1-8(2,3)9-6-4-5-7-9;;;;;;;/h9H,5-8H2,1-4H3;9H,4-8H2,1-3H3;5-8H2,1-4H3;4-8H2,1-3H3;8H,4-7H2,1-3H3;4-7H2,1-3H3;4-7H2,1-3H3;7*1H4
InChIKeyGBYQLRLANHIPMV-UHFFFAOYSA-N
XLogP19.20
TPSA37.90 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001118.09
LogP ≤ 519.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze tert-butylcyclohexane;1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;4-tert-butylmorpholine;4-tert-butyloxane;1-tert-butylpiperidine;1-tert-butylpyrrolidine;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butylcyclohexane;1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;4-tert-butylmorpholine;4-tert-butyloxane;1-tert-butylpiperidine;1-tert-butylpyrrolidine;methane?
The IUPAC name of tert-butylcyclohexane;1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;4-tert-butylmorpholine;4-tert-butyloxane;1-tert-butylpiperidine;1-tert-butylpyrrolidine;methane (CID 158210029) is tert-butylcyclohexane;1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;4-tert-butylmorpholine;4-tert-butyloxane;1-tert-butylpiperidine;1-tert-butylpyrrolidine;methane.
What is the SMILES notation for tert-butylcyclohexane;1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;4-tert-butylmorpholine;4-tert-butyloxane;1-tert-butylpiperidine;1-tert-butylpyrrolidine;methane?
The canonical SMILES for tert-butylcyclohexane;1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;4-tert-butylmorpholine;4-tert-butyloxane;1-tert-butylpiperidine;1-tert-butylpyrrolidine;methane is C.C.C.C.C.C.C.CC(C)(C)C1CCCCC1.CC(C)(C)C1CCOCC1.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCOCC1.CN1CCC(C(C)(C)C)CC1.CN1CCN(C(C)(C)C)CC1.
What is the InChIKey of tert-butylcyclohexane;1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;4-tert-butylmorpholine;4-tert-butyloxane;1-tert-butylpiperidine;1-tert-butylpyrrolidine;methane?
The InChIKey is GBYQLRLANHIPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N.C10H20.C9H20N2.C9H19N.C9H18O.C8H17NO.C8H17N.7CH4/c1-10(2,3)9-5-7-11(4)8-6-9;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)11-7-5-10(4)6-8-11;1-9(2,3)10-7-5-4-6-8-10;1-9(2,3)8-4-6-10-7-5-8;1-8(2,3)9-4-6-10-7-5-9;1-8(2,3)9-6-4-5-7-9;;;;;;;/h9H,5-8H2,1-4H3;9H,4-8H2,1-3H3;5-8H2,1-4H3;4-8H2,1-3H3;8H,4-7H2,1-3H3;4-7H2,1-3H3;4-7H2,1-3H3;7*1H4.
What are the key properties of tert-butylcyclohexane;1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;4-tert-butylmorpholine;4-tert-butyloxane;1-tert-butylpiperidine;1-tert-butylpyrrolidine;methane?
tert-butylcyclohexane;1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;4-tert-butylmorpholine;4-tert-butyloxane;1-tert-butylpiperidine;1-tert-butylpyrrolidine;methane has a molecular weight of 1118.09 g/mol, XLogP of 19.20, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylcyclohexane;1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;4-tert-butylmorpholine;4-tert-butyloxane;1-tert-butylpiperidine;1-tert-butylpyrrolidine;methane is sourced from PubChem (CID 158210029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).