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

C61H126N2O — CID 157336933

IUPAC1,1-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
SMILESC.C.CC(=O)N1CCC(C(C)C)(C(C)C)CC1.CC(C)C1(C(C)C)CCC1.CC(C)C1(C(C)C)CCCCC1.CC(C)C1(C(C)C)CCCCC1.CC(C)C1(C(C)C)CCN(C)CC1
InChIInChI=1S/C13H25NO.C12H25N.2C12H24.C10H20.2CH4/c1-10(2)13(11(3)4)6-8-14(9-7-13)12(5)15;1-10(2)12(11(3)4)6-8-13(5)9-7-12;2*1-10(2)12(11(3)4)8-6-5-7-9-12;1-8(2)10(9(3)4)6-5-7-10;;/h10-11H,6-9H2,1-5H3;10-11H,6-9H2,1-5H3;2*10-11H,5-9H2,1-4H3;8-9H,5-7H2,1-4H3;2*1H4
InChIKeyBFYDBHLQPSIPQY-UHFFFAOYSA-N
MW903.69 g/mol
LogP19.18
Rot. Bonds10

About 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

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 (PubChem CID 157336933) has the molecular formula C61H126N2O and a molecular weight of 903.69 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1,1-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
PubChem CID157336933
Molecular FormulaC61H126N2O
Molecular Weight903.69 g/mol
Exact Mass902.99
IUPAC Name1,1-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
SMILESC.C.CC(=O)N1CCC(C(C)C)(C(C)C)CC1.CC(C)C1(C(C)C)CCC1.CC(C)C1(C(C)C)CCCCC1.CC(C)C1(C(C)C)CCCCC1.CC(C)C1(C(C)C)CCN(C)CC1
InChIInChI=1S/C13H25NO.C12H25N.2C12H24.C10H20.2CH4/c1-10(2)13(11(3)4)6-8-14(9-7-13)12(5)15;1-10(2)12(11(3)4)6-8-13(5)9-7-12;2*1-10(2)12(11(3)4)8-6-5-7-9-12;1-8(2)10(9(3)4)6-5-7-10;;/h10-11H,6-9H2,1-5H3;10-11H,6-9H2,1-5H3;2*10-11H,5-9H2,1-4H3;8-9H,5-7H2,1-4H3;2*1H4
InChIKeyBFYDBHLQPSIPQY-UHFFFAOYSA-N
XLogP19.18
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500903.69
LogP ≤ 519.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 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 with MolForge

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Related Compounds

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
Tert-butylcyclohexane;1-(4-tert-butylpiperidin-1-yl)ethanone;tris(4-tert-butyl-1-propylpiperidine)
CID 159386945
Bis(tert-butylcyclohexane);1-(4-tert-butylpiperidin-1-yl)ethanone;methane
CID 159596797
Bis(tert-butylcyclohexane);1-(4-tert-butylpiperidin-1-yl)ethanone;methane
CID 160541368
Bis(tert-butylcyclohexane);1-(4-tert-butylpiperidin-1-yl)ethanone
CID 160607060
1-[4-[(9-Methyl-3-azaspiro[5.5]undecan-3-yl)methyl]piperidin-1-yl]ethanone
CID 163594863
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-[(9-Tert-butyl-3-azaspiro[5.5]undecan-3-yl)methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 168854210
7-Methyl-2-propan-2-yl-7-azaspiro[3.5]nonane;1-(2-propan-2-yl-7-azaspiro[3.5]nonan-7-yl)ethanone
CID 169125160
1-[4-Methyl-4-[5-(4-methyl-4-propan-2-ylpiperidin-1-yl)hexan-2-yl]piperidin-1-yl]ethanone
CID 169916484
2,2-Dimethyl-1-[4-[(9-methyl-3-azaspiro[5.5]undecan-3-yl)methyl]piperidin-1-yl]propan-1-one
CID 170063710
1-(6-Tert-butyl-3-azabicyclo[3.1.1]heptan-3-yl)ethanone
CID 171418703

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C.C.CC(=O)N1CCC(C(C)C)(C(C)C)CC1.CC(C)C1(C(C)C)CCC1.CC(C)C1(C(C)C)CCCCC1.CC(C)C1(C(C)C)CCCCC1.CC(C)C1(C(C)C)CCN(C)CC1.
What is the InChIKey of 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?
The InChIKey is BFYDBHLQPSIPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO.C12H25N.2C12H24.C10H20.2CH4/c1-10(2)13(11(3)4)6-8-14(9-7-13)12(5)15;1-10(2)12(11(3)4)6-8-13(5)9-7-12;2*1-10(2)12(11(3)4)8-6-5-7-9-12;1-8(2)10(9(3)4)6-5-7-10;;/h10-11H,6-9H2,1-5H3;10-11H,6-9H2,1-5H3;2*10-11H,5-9H2,1-4H3;8-9H,5-7H2,1-4H3;2*1H4.
What are the key properties of 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?
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 has a molecular weight of 903.69 g/mol, XLogP of 19.18, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157336933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).