2-tert-butyl-6-[[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]methyl]-2,6-diazaspiro[3.3]heptane

C20H38N2O — CID 176634081

IUPAC2-tert-butyl-6-[[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]methyl]-2,6-diazaspiro[3.3]heptane
SMILESCC(C)(C)OC1CCC(CN2CC3(C2)CN(C(C)(C)C)C3)CC1
InChIInChI=1S/C20H38N2O/c1-18(2,3)22-14-20(15-22)12-21(13-20)11-16-7-9-17(10-8-16)23-19(4,5)6/h16-17H,7-15H2,1-6H3
InChIKeyBEXSTSVPQWVPGT-UHFFFAOYSA-N
MW322.54 g/mol
LogP3.78
Rot. Bonds3

About 2-tert-butyl-6-[[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]methyl]-2,6-diazaspiro[3.3]heptane

2-tert-butyl-6-[[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]methyl]-2,6-diazaspiro[3.3]heptane (PubChem CID 176634081) has the molecular formula C20H38N2O and a molecular weight of 322.54 g/mol. Its IUPAC name is 2-tert-butyl-6-[[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]methyl]-2,6-diazaspiro[3.3]heptane.

Molecular Properties

Compound Name2-tert-butyl-6-[[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]methyl]-2,6-diazaspiro[3.3]heptane
PubChem CID176634081
Molecular FormulaC20H38N2O
Molecular Weight322.54 g/mol
Exact Mass322.30
IUPAC Name2-tert-butyl-6-[[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]methyl]-2,6-diazaspiro[3.3]heptane
SMILESCC(C)(C)OC1CCC(CN2CC3(C2)CN(C(C)(C)C)C3)CC1
InChIInChI=1S/C20H38N2O/c1-18(2,3)22-14-20(15-22)12-21(13-20)11-16-7-9-17(10-8-16)23-19(4,5)6/h16-17H,7-15H2,1-6H3
InChIKeyBEXSTSVPQWVPGT-UHFFFAOYSA-N
XLogP3.78
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.54
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-[[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]methyl]-2,6-diazaspiro[3.3]heptane?
The IUPAC name of 2-tert-butyl-6-[[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]methyl]-2,6-diazaspiro[3.3]heptane (CID 176634081) is 2-tert-butyl-6-[[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]methyl]-2,6-diazaspiro[3.3]heptane.
What is the SMILES notation for 2-tert-butyl-6-[[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]methyl]-2,6-diazaspiro[3.3]heptane?
The canonical SMILES for 2-tert-butyl-6-[[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]methyl]-2,6-diazaspiro[3.3]heptane is CC(C)(C)OC1CCC(CN2CC3(C2)CN(C(C)(C)C)C3)CC1.
What is the InChIKey of 2-tert-butyl-6-[[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]methyl]-2,6-diazaspiro[3.3]heptane?
The InChIKey is BEXSTSVPQWVPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N2O/c1-18(2,3)22-14-20(15-22)12-21(13-20)11-16-7-9-17(10-8-16)23-19(4,5)6/h16-17H,7-15H2,1-6H3.
What are the key properties of 2-tert-butyl-6-[[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]methyl]-2,6-diazaspiro[3.3]heptane?
2-tert-butyl-6-[[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]methyl]-2,6-diazaspiro[3.3]heptane has a molecular weight of 322.54 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-[[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]methyl]-2,6-diazaspiro[3.3]heptane is sourced from PubChem (CID 176634081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).