5-tert-butyl-2-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2-tert-butyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;2-tert-butyl-5-propan-2-yl-2,5-diazabicyclo[4.1.0]heptane;3-tert-butyl-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;8-tert-butyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;2-tert-butyl-6-propan-2-yl-2,6-diazaspiro[3.3]heptane;4-tert-butyl-7-propan-2-yl-4,7-diazaspiro[2.5]octane;1-tert-butyl-4-propan-2-ylpiperazine;1-tert-butyl-4-propan-2-ylpiperidine;nonakis(2-methylpropane)

C147H315N17 — CID 165024851

IUPAC5-tert-butyl-2-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2-tert-butyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;2-tert-butyl-5-propan-2-yl-2,5-diazabicyclo[4.1.0]heptane;3-tert-butyl-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;8-tert-butyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;2-tert-butyl-6-propan-2-yl-2,6-diazaspiro[3.3]heptane;4-tert-butyl-7-propan-2-yl-4,7-diazaspiro[2.5]octane;1-tert-butyl-4-propan-2-ylpiperazine;1-tert-butyl-4-propan-2-ylpiperidine;nonakis(2-methylpropane)
SMILESCC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C1CCN(C(C)(C)C)CC1.CC(C)N1C2CCC1CN(C(C)(C)C)C2.CC(C)N1CC2(C1)CN(C(C)(C)C)C2.CC(C)N1CC2CC1CN2C(C)(C)C.CC(C)N1CC2CCC(C1)N2C(C)(C)C.CC(C)N1CC2CN(C(C)(C)C)CC2C1.CC(C)N1CCN(C(C)(C)C)C2(CC2)C1.CC(C)N1CCN(C(C)(C)C)C2CC21.CC(C)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/4C13H26N2.3C12H24N2.C12H25N.C11H24N2.9C4H10/c1-10(2)14-6-11-8-15(13(3,4)5)9-12(11)7-14;1-10(2)15-11-6-7-12(15)9-14(8-11)13(3,4)5;1-10(2)14-8-11-6-7-12(9-14)15(11)13(3,4)5;1-11(2)14-8-9-15(12(3,4)5)13(10-14)6-7-13;1-10(2)13-6-12(7-13)8-14(9-12)11(3,4)5;1-9(2)13-7-11-6-10(13)8-14(11)12(3,4)5;1-9(2)13-6-7-14(12(3,4)5)11-8-10(11)13;1-10(2)11-6-8-13(9-7-11)12(3,4)5;1-10(2)12-6-8-13(9-7-12)11(3,4)5;9*1-4(2)3/h3*10-12H,6-9H2,1-5H3;11H,6-10H2,1-5H3;10H,6-9H2,1-5H3;2*9-11H,6-8H2,1-5H3;10-11H,6-9H2,1-5H3;10H,6-9H2,1-5H3;9*4H,1-3H3
InChIKeyLSGIERFJLGQKEZ-UHFFFAOYSA-N
MW2321.26 g/mol
LogP34.72
Rot. Bonds9

About 5-tert-butyl-2-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2-tert-butyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;2-tert-butyl-5-propan-2-yl-2,5-diazabicyclo[4.1.0]heptane;3-tert-butyl-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;8-tert-butyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;2-tert-butyl-6-propan-2-yl-2,6-diazaspiro[3.3]heptane;4-tert-butyl-7-propan-2-yl-4,7-diazaspiro[2.5]octane;1-tert-butyl-4-propan-2-ylpiperazine;1-tert-butyl-4-propan-2-ylpiperidine;nonakis(2-methylpropane)

5-tert-butyl-2-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2-tert-butyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;2-tert-butyl-5-propan-2-yl-2,5-diazabicyclo[4.1.0]heptane;3-tert-butyl-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;8-tert-butyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;2-tert-butyl-6-propan-2-yl-2,6-diazaspiro[3.3]heptane;4-tert-butyl-7-propan-2-yl-4,7-diazaspiro[2.5]octane;1-tert-butyl-4-propan-2-ylpiperazine;1-tert-butyl-4-propan-2-ylpiperidine;nonakis(2-methylpropane) (PubChem CID 165024851) has the molecular formula C147H315N17 and a molecular weight of 2321.26 g/mol. Its IUPAC name is 5-tert-butyl-2-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2-tert-butyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;2-tert-butyl-5-propan-2-yl-2,5-diazabicyclo[4.1.0]heptane;3-tert-butyl-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;8-tert-butyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;2-tert-butyl-6-propan-2-yl-2,6-diazaspiro[3.3]heptane;4-tert-butyl-7-propan-2-yl-4,7-diazaspiro[2.5]octane;1-tert-butyl-4-propan-2-ylpiperazine;1-tert-butyl-4-propan-2-ylpiperidine;nonakis(2-methylpropane).

Molecular Properties

Compound Name5-tert-butyl-2-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2-tert-butyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;2-tert-butyl-5-propan-2-yl-2,5-diazabicyclo[4.1.0]heptane;3-tert-butyl-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;8-tert-butyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;2-tert-butyl-6-propan-2-yl-2,6-diazaspiro[3.3]heptane;4-tert-butyl-7-propan-2-yl-4,7-diazaspiro[2.5]octane;1-tert-butyl-4-propan-2-ylpiperazine;1-tert-butyl-4-propan-2-ylpiperidine;nonakis(2-methylpropane)
PubChem CID165024851
Molecular FormulaC147H315N17
Molecular Weight2321.26 g/mol
Exact Mass2319.52
IUPAC Name5-tert-butyl-2-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2-tert-butyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;2-tert-butyl-5-propan-2-yl-2,5-diazabicyclo[4.1.0]heptane;3-tert-butyl-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;8-tert-butyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;2-tert-butyl-6-propan-2-yl-2,6-diazaspiro[3.3]heptane;4-tert-butyl-7-propan-2-yl-4,7-diazaspiro[2.5]octane;1-tert-butyl-4-propan-2-ylpiperazine;1-tert-butyl-4-propan-2-ylpiperidine;nonakis(2-methylpropane)
SMILESCC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C1CCN(C(C)(C)C)CC1.CC(C)N1C2CCC1CN(C(C)(C)C)C2.CC(C)N1CC2(C1)CN(C(C)(C)C)C2.CC(C)N1CC2CC1CN2C(C)(C)C.CC(C)N1CC2CCC(C1)N2C(C)(C)C.CC(C)N1CC2CN(C(C)(C)C)CC2C1.CC(C)N1CCN(C(C)(C)C)C2(CC2)C1.CC(C)N1CCN(C(C)(C)C)C2CC21.CC(C)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/4C13H26N2.3C12H24N2.C12H25N.C11H24N2.9C4H10/c1-10(2)14-6-11-8-15(13(3,4)5)9-12(11)7-14;1-10(2)15-11-6-7-12(15)9-14(8-11)13(3,4)5;1-10(2)14-8-11-6-7-12(9-14)15(11)13(3,4)5;1-11(2)14-8-9-15(12(3,4)5)13(10-14)6-7-13;1-10(2)13-6-12(7-13)8-14(9-12)11(3,4)5;1-9(2)13-7-11-6-10(13)8-14(11)12(3,4)5;1-9(2)13-6-7-14(12(3,4)5)11-8-10(11)13;1-10(2)11-6-8-13(9-7-11)12(3,4)5;1-10(2)12-6-8-13(9-7-12)11(3,4)5;9*1-4(2)3/h3*10-12H,6-9H2,1-5H3;11H,6-10H2,1-5H3;10H,6-9H2,1-5H3;2*9-11H,6-8H2,1-5H3;10-11H,6-9H2,1-5H3;10H,6-9H2,1-5H3;9*4H,1-3H3
InChIKeyLSGIERFJLGQKEZ-UHFFFAOYSA-N
XLogP34.72
TPSA55.08 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds9
Heavy Atoms164
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002321.26
LogP ≤ 534.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 5-tert-butyl-2-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2-tert-butyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;2-tert-butyl-5-propan-2-yl-2,5-diazabicyclo[4.1.0]heptane;3-tert-butyl-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;8-tert-butyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;2-tert-butyl-6-propan-2-yl-2,6-diazaspiro[3.3]heptane;4-tert-butyl-7-propan-2-yl-4,7-diazaspiro[2.5]octane;1-tert-butyl-4-propan-2-ylpiperazine;1-tert-butyl-4-propan-2-ylpiperidine;nonakis(2-methylpropane) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2-tert-butyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;2-tert-butyl-5-propan-2-yl-2,5-diazabicyclo[4.1.0]heptane;3-tert-butyl-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;8-tert-butyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;2-tert-butyl-6-propan-2-yl-2,6-diazaspiro[3.3]heptane;4-tert-butyl-7-propan-2-yl-4,7-diazaspiro[2.5]octane;1-tert-butyl-4-propan-2-ylpiperazine;1-tert-butyl-4-propan-2-ylpiperidine;nonakis(2-methylpropane)?
The IUPAC name of 5-tert-butyl-2-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2-tert-butyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;2-tert-butyl-5-propan-2-yl-2,5-diazabicyclo[4.1.0]heptane;3-tert-butyl-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;8-tert-butyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;2-tert-butyl-6-propan-2-yl-2,6-diazaspiro[3.3]heptane;4-tert-butyl-7-propan-2-yl-4,7-diazaspiro[2.5]octane;1-tert-butyl-4-propan-2-ylpiperazine;1-tert-butyl-4-propan-2-ylpiperidine;nonakis(2-methylpropane) (CID 165024851) is 5-tert-butyl-2-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2-tert-butyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;2-tert-butyl-5-propan-2-yl-2,5-diazabicyclo[4.1.0]heptane;3-tert-butyl-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;8-tert-butyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;2-tert-butyl-6-propan-2-yl-2,6-diazaspiro[3.3]heptane;4-tert-butyl-7-propan-2-yl-4,7-diazaspiro[2.5]octane;1-tert-butyl-4-propan-2-ylpiperazine;1-tert-butyl-4-propan-2-ylpiperidine;nonakis(2-methylpropane).
What is the SMILES notation for 5-tert-butyl-2-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2-tert-butyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;2-tert-butyl-5-propan-2-yl-2,5-diazabicyclo[4.1.0]heptane;3-tert-butyl-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;8-tert-butyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;2-tert-butyl-6-propan-2-yl-2,6-diazaspiro[3.3]heptane;4-tert-butyl-7-propan-2-yl-4,7-diazaspiro[2.5]octane;1-tert-butyl-4-propan-2-ylpiperazine;1-tert-butyl-4-propan-2-ylpiperidine;nonakis(2-methylpropane)?
The canonical SMILES for 5-tert-butyl-2-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2-tert-butyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;2-tert-butyl-5-propan-2-yl-2,5-diazabicyclo[4.1.0]heptane;3-tert-butyl-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;8-tert-butyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;2-tert-butyl-6-propan-2-yl-2,6-diazaspiro[3.3]heptane;4-tert-butyl-7-propan-2-yl-4,7-diazaspiro[2.5]octane;1-tert-butyl-4-propan-2-ylpiperazine;1-tert-butyl-4-propan-2-ylpiperidine;nonakis(2-methylpropane) is CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C1CCN(C(C)(C)C)CC1.CC(C)N1C2CCC1CN(C(C)(C)C)C2.CC(C)N1CC2(C1)CN(C(C)(C)C)C2.CC(C)N1CC2CC1CN2C(C)(C)C.CC(C)N1CC2CCC(C1)N2C(C)(C)C.CC(C)N1CC2CN(C(C)(C)C)CC2C1.CC(C)N1CCN(C(C)(C)C)C2(CC2)C1.CC(C)N1CCN(C(C)(C)C)C2CC21.CC(C)N1CCN(C(C)(C)C)CC1.
What is the InChIKey of 5-tert-butyl-2-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2-tert-butyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;2-tert-butyl-5-propan-2-yl-2,5-diazabicyclo[4.1.0]heptane;3-tert-butyl-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;8-tert-butyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;2-tert-butyl-6-propan-2-yl-2,6-diazaspiro[3.3]heptane;4-tert-butyl-7-propan-2-yl-4,7-diazaspiro[2.5]octane;1-tert-butyl-4-propan-2-ylpiperazine;1-tert-butyl-4-propan-2-ylpiperidine;nonakis(2-methylpropane)?
The InChIKey is LSGIERFJLGQKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/4C13H26N2.3C12H24N2.C12H25N.C11H24N2.9C4H10/c1-10(2)14-6-11-8-15(13(3,4)5)9-12(11)7-14;1-10(2)15-11-6-7-12(15)9-14(8-11)13(3,4)5;1-10(2)14-8-11-6-7-12(9-14)15(11)13(3,4)5;1-11(2)14-8-9-15(12(3,4)5)13(10-14)6-7-13;1-10(2)13-6-12(7-13)8-14(9-12)11(3,4)5;1-9(2)13-7-11-6-10(13)8-14(11)12(3,4)5;1-9(2)13-6-7-14(12(3,4)5)11-8-10(11)13;1-10(2)11-6-8-13(9-7-11)12(3,4)5;1-10(2)12-6-8-13(9-7-12)11(3,4)5;9*1-4(2)3/h3*10-12H,6-9H2,1-5H3;11H,6-10H2,1-5H3;10H,6-9H2,1-5H3;2*9-11H,6-8H2,1-5H3;10-11H,6-9H2,1-5H3;10H,6-9H2,1-5H3;9*4H,1-3H3.
What are the key properties of 5-tert-butyl-2-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2-tert-butyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;2-tert-butyl-5-propan-2-yl-2,5-diazabicyclo[4.1.0]heptane;3-tert-butyl-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;8-tert-butyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;2-tert-butyl-6-propan-2-yl-2,6-diazaspiro[3.3]heptane;4-tert-butyl-7-propan-2-yl-4,7-diazaspiro[2.5]octane;1-tert-butyl-4-propan-2-ylpiperazine;1-tert-butyl-4-propan-2-ylpiperidine;nonakis(2-methylpropane)?
5-tert-butyl-2-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2-tert-butyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;2-tert-butyl-5-propan-2-yl-2,5-diazabicyclo[4.1.0]heptane;3-tert-butyl-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;8-tert-butyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;2-tert-butyl-6-propan-2-yl-2,6-diazaspiro[3.3]heptane;4-tert-butyl-7-propan-2-yl-4,7-diazaspiro[2.5]octane;1-tert-butyl-4-propan-2-ylpiperazine;1-tert-butyl-4-propan-2-ylpiperidine;nonakis(2-methylpropane) has a molecular weight of 2321.26 g/mol, XLogP of 34.72, 9 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2-tert-butyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;2-tert-butyl-5-propan-2-yl-2,5-diazabicyclo[4.1.0]heptane;3-tert-butyl-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;8-tert-butyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;2-tert-butyl-6-propan-2-yl-2,6-diazaspiro[3.3]heptane;4-tert-butyl-7-propan-2-yl-4,7-diazaspiro[2.5]octane;1-tert-butyl-4-propan-2-ylpiperazine;1-tert-butyl-4-propan-2-ylpiperidine;nonakis(2-methylpropane) is sourced from PubChem (CID 165024851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).