tert-butylcyclobutane;4-methyl-4-propan-2-yloxane;1-methyl-4-propan-2-ylpiperidine;bis(propan-2-ylcyclohexane);1-(4-propan-2-ylpiperidin-1-yl)ethanone

C54H108N2O2 — CID 159335602

IUPACtert-butylcyclobutane;4-methyl-4-propan-2-yloxane;1-methyl-4-propan-2-ylpiperidine;bis(propan-2-ylcyclohexane);1-(4-propan-2-ylpiperidin-1-yl)ethanone
SMILESCC(=O)N1CCC(C(C)C)CC1.CC(C)(C)C1CCC1.CC(C)C1(C)CCOCC1.CC(C)C1CCCCC1.CC(C)C1CCCCC1.CC(C)C1CCN(C)CC1
InChIInChI=1S/C10H19NO.C9H19N.C9H18O.2C9H18.C8H16/c1-8(2)10-4-6-11(7-5-10)9(3)12;1-8(2)9-4-6-10(3)7-5-9;1-8(2)9(3)4-6-10-7-5-9;2*1-8(2)9-6-4-3-5-7-9;1-8(2,3)7-5-4-6-7/h8,10H,4-7H2,1-3H3;8-9H,4-7H2,1-3H3;8H,4-7H2,1-3H3;2*8-9H,3-7H2,1-2H3;7H,4-6H2,1-3H3
InChIKeyLFMKVYXQRNRSFI-UHFFFAOYSA-N
MW817.47 g/mol
LogP15.62
Rot. Bonds5

About tert-butylcyclobutane;4-methyl-4-propan-2-yloxane;1-methyl-4-propan-2-ylpiperidine;bis(propan-2-ylcyclohexane);1-(4-propan-2-ylpiperidin-1-yl)ethanone

tert-butylcyclobutane;4-methyl-4-propan-2-yloxane;1-methyl-4-propan-2-ylpiperidine;bis(propan-2-ylcyclohexane);1-(4-propan-2-ylpiperidin-1-yl)ethanone (PubChem CID 159335602) has the molecular formula C54H108N2O2 and a molecular weight of 817.47 g/mol. Its IUPAC name is tert-butylcyclobutane;4-methyl-4-propan-2-yloxane;1-methyl-4-propan-2-ylpiperidine;bis(propan-2-ylcyclohexane);1-(4-propan-2-ylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Nametert-butylcyclobutane;4-methyl-4-propan-2-yloxane;1-methyl-4-propan-2-ylpiperidine;bis(propan-2-ylcyclohexane);1-(4-propan-2-ylpiperidin-1-yl)ethanone
PubChem CID159335602
Molecular FormulaC54H108N2O2
Molecular Weight817.47 g/mol
Exact Mass816.84
IUPAC Nametert-butylcyclobutane;4-methyl-4-propan-2-yloxane;1-methyl-4-propan-2-ylpiperidine;bis(propan-2-ylcyclohexane);1-(4-propan-2-ylpiperidin-1-yl)ethanone
SMILESCC(=O)N1CCC(C(C)C)CC1.CC(C)(C)C1CCC1.CC(C)C1(C)CCOCC1.CC(C)C1CCCCC1.CC(C)C1CCCCC1.CC(C)C1CCN(C)CC1
InChIInChI=1S/C10H19NO.C9H19N.C9H18O.2C9H18.C8H16/c1-8(2)10-4-6-11(7-5-10)9(3)12;1-8(2)9-4-6-10(3)7-5-9;1-8(2)9(3)4-6-10-7-5-9;2*1-8(2)9-6-4-3-5-7-9;1-8(2,3)7-5-4-6-7/h8,10H,4-7H2,1-3H3;8-9H,4-7H2,1-3H3;8H,4-7H2,1-3H3;2*8-9H,3-7H2,1-2H3;7H,4-6H2,1-3H3
InChIKeyLFMKVYXQRNRSFI-UHFFFAOYSA-N
XLogP15.62
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500817.47
LogP ≤ 515.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butylcyclobutane;4-methyl-4-propan-2-yloxane;1-methyl-4-propan-2-ylpiperidine;bis(propan-2-ylcyclohexane);1-(4-propan-2-ylpiperidin-1-yl)ethanone with MolForge

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Related Compounds

1,1-Di(propan-2-yl)cyclobutane;bis(1,1-di(propan-2-yl)cyclohexane);1-[4,4-di(propan-2-yl)piperidin-1-yl]ethanone;methane;1-methyl-4,4-di(propan-2-yl)piperidine
CID 157336933
Tert-butylcyclohexane;4-tert-butyloxane;3-tert-butyloxolane;1-(4-tert-butylpiperidin-1-yl)ethanone
CID 161860918
1,1-Di(propan-2-yl)cyclobutane;bis(1,1-di(propan-2-yl)cyclohexane);1-[4,4-di(propan-2-yl)piperidin-1-yl]ethanone;methane;1-methyl-4,4-di(propan-2-yl)piperidine
CID 167594484
1-[4-[[4-[5-(7-Propan-2-ylspiro[3.5]nonan-2-yl)oxyhexan-2-yl]piperidin-1-yl]methyl]piperidin-1-yl]ethanone
CID 177967568

Frequently Asked Questions

What is the IUPAC name of tert-butylcyclobutane;4-methyl-4-propan-2-yloxane;1-methyl-4-propan-2-ylpiperidine;bis(propan-2-ylcyclohexane);1-(4-propan-2-ylpiperidin-1-yl)ethanone?
The IUPAC name of tert-butylcyclobutane;4-methyl-4-propan-2-yloxane;1-methyl-4-propan-2-ylpiperidine;bis(propan-2-ylcyclohexane);1-(4-propan-2-ylpiperidin-1-yl)ethanone (CID 159335602) is tert-butylcyclobutane;4-methyl-4-propan-2-yloxane;1-methyl-4-propan-2-ylpiperidine;bis(propan-2-ylcyclohexane);1-(4-propan-2-ylpiperidin-1-yl)ethanone.
What is the SMILES notation for tert-butylcyclobutane;4-methyl-4-propan-2-yloxane;1-methyl-4-propan-2-ylpiperidine;bis(propan-2-ylcyclohexane);1-(4-propan-2-ylpiperidin-1-yl)ethanone?
The canonical SMILES for tert-butylcyclobutane;4-methyl-4-propan-2-yloxane;1-methyl-4-propan-2-ylpiperidine;bis(propan-2-ylcyclohexane);1-(4-propan-2-ylpiperidin-1-yl)ethanone is CC(=O)N1CCC(C(C)C)CC1.CC(C)(C)C1CCC1.CC(C)C1(C)CCOCC1.CC(C)C1CCCCC1.CC(C)C1CCCCC1.CC(C)C1CCN(C)CC1.
What is the InChIKey of tert-butylcyclobutane;4-methyl-4-propan-2-yloxane;1-methyl-4-propan-2-ylpiperidine;bis(propan-2-ylcyclohexane);1-(4-propan-2-ylpiperidin-1-yl)ethanone?
The InChIKey is LFMKVYXQRNRSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO.C9H19N.C9H18O.2C9H18.C8H16/c1-8(2)10-4-6-11(7-5-10)9(3)12;1-8(2)9-4-6-10(3)7-5-9;1-8(2)9(3)4-6-10-7-5-9;2*1-8(2)9-6-4-3-5-7-9;1-8(2,3)7-5-4-6-7/h8,10H,4-7H2,1-3H3;8-9H,4-7H2,1-3H3;8H,4-7H2,1-3H3;2*8-9H,3-7H2,1-2H3;7H,4-6H2,1-3H3.
What are the key properties of tert-butylcyclobutane;4-methyl-4-propan-2-yloxane;1-methyl-4-propan-2-ylpiperidine;bis(propan-2-ylcyclohexane);1-(4-propan-2-ylpiperidin-1-yl)ethanone?
tert-butylcyclobutane;4-methyl-4-propan-2-yloxane;1-methyl-4-propan-2-ylpiperidine;bis(propan-2-ylcyclohexane);1-(4-propan-2-ylpiperidin-1-yl)ethanone has a molecular weight of 817.47 g/mol, XLogP of 15.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylcyclobutane;4-methyl-4-propan-2-yloxane;1-methyl-4-propan-2-ylpiperidine;bis(propan-2-ylcyclohexane);1-(4-propan-2-ylpiperidin-1-yl)ethanone is sourced from PubChem (CID 159335602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).