bis(tert-butylcyclohexane);1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;4-tert-butylmorpholine;bis(1-tert-butylpiperidine);methane

C66H140N6O — CID 158060027

IUPACbis(tert-butylcyclohexane);1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;4-tert-butylmorpholine;bis(1-tert-butylpiperidine);methane
SMILESC.CC(C)(C)C1CCCCC1.CC(C)(C)C1CCCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCOCC1.CN1CCC(C(C)(C)C)CC1.CN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C10H21N.2C10H20.C9H20N2.2C9H19N.C8H17NO.CH4/c1-10(2,3)9-5-7-11(4)8-6-9;2*1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)11-7-5-10(4)6-8-11;2*1-9(2,3)10-7-5-4-6-8-10;1-8(2,3)9-4-6-10-7-5-9;/h9H,5-8H2,1-4H3;2*9H,4-8H2,1-3H3;5-8H2,1-4H3;2*4-8H2,1-3H3;4-7H2,1-3H3;1H4
InChIKeyFKNIBEPZGFBLJE-UHFFFAOYSA-N
MW1033.89 g/mol
LogP16.93
Rot. Bonds

About bis(tert-butylcyclohexane);1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;4-tert-butylmorpholine;bis(1-tert-butylpiperidine);methane

bis(tert-butylcyclohexane);1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;4-tert-butylmorpholine;bis(1-tert-butylpiperidine);methane (PubChem CID 158060027) has the molecular formula C66H140N6O and a molecular weight of 1033.89 g/mol. Its IUPAC name is bis(tert-butylcyclohexane);1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;4-tert-butylmorpholine;bis(1-tert-butylpiperidine);methane.

Molecular Properties

Compound Namebis(tert-butylcyclohexane);1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;4-tert-butylmorpholine;bis(1-tert-butylpiperidine);methane
PubChem CID158060027
Molecular FormulaC66H140N6O
Molecular Weight1033.89 g/mol
Exact Mass1033.11
IUPAC Namebis(tert-butylcyclohexane);1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;4-tert-butylmorpholine;bis(1-tert-butylpiperidine);methane
SMILESC.CC(C)(C)C1CCCCC1.CC(C)(C)C1CCCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCOCC1.CN1CCC(C(C)(C)C)CC1.CN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C10H21N.2C10H20.C9H20N2.2C9H19N.C8H17NO.CH4/c1-10(2,3)9-5-7-11(4)8-6-9;2*1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)11-7-5-10(4)6-8-11;2*1-9(2,3)10-7-5-4-6-8-10;1-8(2,3)9-4-6-10-7-5-9;/h9H,5-8H2,1-4H3;2*9H,4-8H2,1-3H3;5-8H2,1-4H3;2*4-8H2,1-3H3;4-7H2,1-3H3;1H4
InChIKeyFKNIBEPZGFBLJE-UHFFFAOYSA-N
XLogP16.93
TPSA28.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001033.89
LogP ≤ 516.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of bis(tert-butylcyclohexane);1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;4-tert-butylmorpholine;bis(1-tert-butylpiperidine);methane?
The IUPAC name of bis(tert-butylcyclohexane);1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;4-tert-butylmorpholine;bis(1-tert-butylpiperidine);methane (CID 158060027) is bis(tert-butylcyclohexane);1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;4-tert-butylmorpholine;bis(1-tert-butylpiperidine);methane.
What is the SMILES notation for bis(tert-butylcyclohexane);1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;4-tert-butylmorpholine;bis(1-tert-butylpiperidine);methane?
The canonical SMILES for bis(tert-butylcyclohexane);1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;4-tert-butylmorpholine;bis(1-tert-butylpiperidine);methane is C.CC(C)(C)C1CCCCC1.CC(C)(C)C1CCCCC1.CC(C)(C)N1CCCCC1.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 bis(tert-butylcyclohexane);1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;4-tert-butylmorpholine;bis(1-tert-butylpiperidine);methane?
The InChIKey is FKNIBEPZGFBLJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N.2C10H20.C9H20N2.2C9H19N.C8H17NO.CH4/c1-10(2,3)9-5-7-11(4)8-6-9;2*1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)11-7-5-10(4)6-8-11;2*1-9(2,3)10-7-5-4-6-8-10;1-8(2,3)9-4-6-10-7-5-9;/h9H,5-8H2,1-4H3;2*9H,4-8H2,1-3H3;5-8H2,1-4H3;2*4-8H2,1-3H3;4-7H2,1-3H3;1H4.
What are the key properties of bis(tert-butylcyclohexane);1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;4-tert-butylmorpholine;bis(1-tert-butylpiperidine);methane?
bis(tert-butylcyclohexane);1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;4-tert-butylmorpholine;bis(1-tert-butylpiperidine);methane has a molecular weight of 1033.89 g/mol, XLogP of 16.93, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(tert-butylcyclohexane);1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;4-tert-butylmorpholine;bis(1-tert-butylpiperidine);methane is sourced from PubChem (CID 158060027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).