5-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2-tert-butyl-8-propan-2-yl-2,8-diazaspiro[4.5]decane

C35H69N5 — CID 167617800

IUPAC5-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2-tert-butyl-8-propan-2-yl-2,8-diazaspiro[4.5]decane
SMILESCC(C)(C)N1CCC(CN2CC3CN(C(C)(C)C)CC3C2)CC1.CC(C)N1CCC2(CC1)CCN(C(C)(C)C)C2
InChIInChI=1S/C20H39N3.C15H30N2/c1-19(2,3)22-9-7-16(8-10-22)11-21-12-17-14-23(20(4,5)6)15-18(17)13-21;1-13(2)16-9-6-15(7-10-16)8-11-17(12-15)14(3,4)5/h16-18H,7-15H2,1-6H3;13H,6-12H2,1-5H3
InChIKeyLZOMZWYFGZAVSF-UHFFFAOYSA-N
MW559.97 g/mol
LogP6.14
Rot. Bonds3

About 5-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2-tert-butyl-8-propan-2-yl-2,8-diazaspiro[4.5]decane

5-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2-tert-butyl-8-propan-2-yl-2,8-diazaspiro[4.5]decane (PubChem CID 167617800) has the molecular formula C35H69N5 and a molecular weight of 559.97 g/mol. Its IUPAC name is 5-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2-tert-butyl-8-propan-2-yl-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name5-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2-tert-butyl-8-propan-2-yl-2,8-diazaspiro[4.5]decane
PubChem CID167617800
Molecular FormulaC35H69N5
Molecular Weight559.97 g/mol
Exact Mass559.56
IUPAC Name5-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2-tert-butyl-8-propan-2-yl-2,8-diazaspiro[4.5]decane
SMILESCC(C)(C)N1CCC(CN2CC3CN(C(C)(C)C)CC3C2)CC1.CC(C)N1CCC2(CC1)CCN(C(C)(C)C)C2
InChIInChI=1S/C20H39N3.C15H30N2/c1-19(2,3)22-9-7-16(8-10-22)11-21-12-17-14-23(20(4,5)6)15-18(17)13-21;1-13(2)16-9-6-15(7-10-16)8-11-17(12-15)14(3,4)5/h16-18H,7-15H2,1-6H3;13H,6-12H2,1-5H3
InChIKeyLZOMZWYFGZAVSF-UHFFFAOYSA-N
XLogP6.14
TPSA16.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.97
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2-tert-butyl-8-propan-2-yl-2,8-diazaspiro[4.5]decane with MolForge

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Launch Full Analysis

Related Compounds

(3aR,6aS)-5-tert-butyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 155702594
2-[(1-tert-butylpiperidin-4-yl)methyl]-7-propan-2-yl-2,7-diazaspiro[3.5]nonane
CID 170669704
8-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-2,8-diazaspiro[4.5]decane
CID 146549060
1-[(1-tert-butylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine
CID 139475378
5-propan-2-yl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 164782571
1-tert-butyl-4-[1-[(1-propan-2-ylpiperidin-4-yl)methyl]azetidin-3-yl]piperazine
CID 172511550
3-propan-2-yl-9-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,9-diazaspiro[5.5]undecane
CID 155184308
7-propan-2-yl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-2,7-diazaspiro[3.5]nonane
CID 167417878
2-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-7-propan-2-yl-2,7-diazaspiro[3.5]nonane
CID 174168119
2-tert-butyl-7-[(4-tert-butylpiperazin-1-yl)methyl]-2-azaspiro[3.5]nonane
CID 176795458
5-tert-butyl-2-[[1-(1-methylsulfanylethyl)azetidin-3-yl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 156551163
(2S,6R)-1-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]-2,6-dimethylpiperazine
CID 146549044

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2-tert-butyl-8-propan-2-yl-2,8-diazaspiro[4.5]decane?
The IUPAC name of 5-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2-tert-butyl-8-propan-2-yl-2,8-diazaspiro[4.5]decane (CID 167617800) is 5-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2-tert-butyl-8-propan-2-yl-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 5-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2-tert-butyl-8-propan-2-yl-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 5-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2-tert-butyl-8-propan-2-yl-2,8-diazaspiro[4.5]decane is CC(C)(C)N1CCC(CN2CC3CN(C(C)(C)C)CC3C2)CC1.CC(C)N1CCC2(CC1)CCN(C(C)(C)C)C2.
What is the InChIKey of 5-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2-tert-butyl-8-propan-2-yl-2,8-diazaspiro[4.5]decane?
The InChIKey is LZOMZWYFGZAVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39N3.C15H30N2/c1-19(2,3)22-9-7-16(8-10-22)11-21-12-17-14-23(20(4,5)6)15-18(17)13-21;1-13(2)16-9-6-15(7-10-16)8-11-17(12-15)14(3,4)5/h16-18H,7-15H2,1-6H3;13H,6-12H2,1-5H3.
What are the key properties of 5-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2-tert-butyl-8-propan-2-yl-2,8-diazaspiro[4.5]decane?
5-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2-tert-butyl-8-propan-2-yl-2,8-diazaspiro[4.5]decane has a molecular weight of 559.97 g/mol, XLogP of 6.14, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2-tert-butyl-8-propan-2-yl-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 167617800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).