1-tert-butyl-7-[2-(2,8-diazaspiro[4.5]decan-2-yl)propyl]-1,8-diazaspiro[4.5]decane

C23H44N4 — CID 156542247

IUPAC1-tert-butyl-7-[2-(2,8-diazaspiro[4.5]decan-2-yl)propyl]-1,8-diazaspiro[4.5]decane
SMILESCC(CC1CC2(CCCN2C(C)(C)C)CCN1)N1CCC2(CCNCC2)C1
InChIInChI=1S/C23H44N4/c1-19(26-15-10-22(18-26)7-11-24-12-8-22)16-20-17-23(9-13-25-20)6-5-14-27(23)21(2,3)4/h19-20,24-25H,5-18H2,1-4H3
InChIKeyYYUGNNCIJXUVNP-UHFFFAOYSA-N
MW376.63 g/mol
LogP3.23
Rot. Bonds3

About 1-tert-butyl-7-[2-(2,8-diazaspiro[4.5]decan-2-yl)propyl]-1,8-diazaspiro[4.5]decane

1-tert-butyl-7-[2-(2,8-diazaspiro[4.5]decan-2-yl)propyl]-1,8-diazaspiro[4.5]decane (PubChem CID 156542247) has the molecular formula C23H44N4 and a molecular weight of 376.63 g/mol. Its IUPAC name is 1-tert-butyl-7-[2-(2,8-diazaspiro[4.5]decan-2-yl)propyl]-1,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name1-tert-butyl-7-[2-(2,8-diazaspiro[4.5]decan-2-yl)propyl]-1,8-diazaspiro[4.5]decane
PubChem CID156542247
Molecular FormulaC23H44N4
Molecular Weight376.63 g/mol
Exact Mass376.36
IUPAC Name1-tert-butyl-7-[2-(2,8-diazaspiro[4.5]decan-2-yl)propyl]-1,8-diazaspiro[4.5]decane
SMILESCC(CC1CC2(CCCN2C(C)(C)C)CCN1)N1CCC2(CCNCC2)C1
InChIInChI=1S/C23H44N4/c1-19(26-15-10-22(18-26)7-11-24-12-8-22)16-20-17-23(9-13-25-20)6-5-14-27(23)21(2,3)4/h19-20,24-25H,5-18H2,1-4H3
InChIKeyYYUGNNCIJXUVNP-UHFFFAOYSA-N
XLogP3.23
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.63
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butyl-2-azaspiro[4.5]decane;8-tert-butyl-8-azaspiro[4.5]decane;2-tert-butyl-2-azaspiro[3.5]nonane;7-tert-butyl-7-azaspiro[3.5]nonane;2-tert-butyl-2-azaspiro[5.5]undecane;1-tert-butyl-1,8-diazaspiro[4.5]decane;2-tert-butyl-2,8-diazaspiro[3.5]nonane;3-tert-butyl-3,9-diazaspiro[5.5]undecane;methane
CID 161238642
3-[2-(2,6-diazaspiro[3.5]nonan-6-yl)propyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decane
CID 167259305
2-[2-(2,9-diazaspiro[5.5]undecan-2-yl)propyl]-9-propan-2-yl-2,9-diazaspiro[5.5]undecane
CID 146389073
1-tert-butyl-1-azaspiro[4.5]decane;2-tert-butyl-2-azaspiro[4.5]decane;2-tert-butyl-2-azaspiro[3.5]nonane;7-tert-butyl-7-azaspiro[3.5]nonane;2-tert-butyl-2-azaspiro[5.5]undecane;3-tert-butyl-3-azaspiro[5.5]undecane;8-tert-butyl-2,8-diazaspiro[4.5]decane;2-tert-butyl-2,8-diazaspiro[3.5]nonane
CID 159238041
3-[2-(2,8-diazaspiro[4.5]decan-8-yl)propyl]-9-propan-2-yl-2,9-diazaspiro[5.5]undecane
CID 170423334
2-propan-2-yl-2,7-diazaspiro[4.4]nonane
CID 58821247
2-butan-2-yl-8-methyl-2,8-diazaspiro[4.5]decane
CID 170581950
2,2-dimethylpropane;2-methyl-2,8-diazaspiro[4.5]decane
CID 145168180
2-butan-2-yl-8-methyl-2-azaspiro[4.4]nonane
CID 171071187
3-(3-methylpentan-2-yl)-3,9-diazaspiro[5.5]undecane
CID 112751094
1-(2,7-diazaspiro[4.4]nonan-2-yl)ethanamine
CID 163884377
2-[(1-methylcyclobutyl)methyl]-2,8-diazaspiro[4.5]decane
CID 120906458

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-7-[2-(2,8-diazaspiro[4.5]decan-2-yl)propyl]-1,8-diazaspiro[4.5]decane?
The IUPAC name of 1-tert-butyl-7-[2-(2,8-diazaspiro[4.5]decan-2-yl)propyl]-1,8-diazaspiro[4.5]decane (CID 156542247) is 1-tert-butyl-7-[2-(2,8-diazaspiro[4.5]decan-2-yl)propyl]-1,8-diazaspiro[4.5]decane.
What is the SMILES notation for 1-tert-butyl-7-[2-(2,8-diazaspiro[4.5]decan-2-yl)propyl]-1,8-diazaspiro[4.5]decane?
The canonical SMILES for 1-tert-butyl-7-[2-(2,8-diazaspiro[4.5]decan-2-yl)propyl]-1,8-diazaspiro[4.5]decane is CC(CC1CC2(CCCN2C(C)(C)C)CCN1)N1CCC2(CCNCC2)C1.
What is the InChIKey of 1-tert-butyl-7-[2-(2,8-diazaspiro[4.5]decan-2-yl)propyl]-1,8-diazaspiro[4.5]decane?
The InChIKey is YYUGNNCIJXUVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44N4/c1-19(26-15-10-22(18-26)7-11-24-12-8-22)16-20-17-23(9-13-25-20)6-5-14-27(23)21(2,3)4/h19-20,24-25H,5-18H2,1-4H3.
What are the key properties of 1-tert-butyl-7-[2-(2,8-diazaspiro[4.5]decan-2-yl)propyl]-1,8-diazaspiro[4.5]decane?
1-tert-butyl-7-[2-(2,8-diazaspiro[4.5]decan-2-yl)propyl]-1,8-diazaspiro[4.5]decane has a molecular weight of 376.63 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-7-[2-(2,8-diazaspiro[4.5]decan-2-yl)propyl]-1,8-diazaspiro[4.5]decane is sourced from PubChem (CID 156542247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).