tert-butyl N-(5-benzyl-8-methyl-5-azaspiro[2.5]octan-7-yl)carbamate

C20H30N2O2 — CID 20792134

IUPACtert-butyl N-(5-benzyl-8-methyl-5-azaspiro[2.5]octan-7-yl)carbamate
SMILESCC1C(NC(=O)OC(C)(C)C)CN(Cc2ccccc2)CC12CC2
InChIInChI=1S/C20H30N2O2/c1-15-17(21-18(23)24-19(2,3)4)13-22(14-20(15)10-11-20)12-16-8-6-5-7-9-16/h5-9,15,17H,10-14H2,1-4H3,(H,21,23)
InChIKeyMUCIWXKVMWBVLL-UHFFFAOYSA-N
MW330.47 g/mol
LogP3.81
Rot. Bonds3

About tert-butyl N-(5-benzyl-8-methyl-5-azaspiro[2.5]octan-7-yl)carbamate

tert-butyl N-(5-benzyl-8-methyl-5-azaspiro[2.5]octan-7-yl)carbamate (PubChem CID 20792134) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is tert-butyl N-(5-benzyl-8-methyl-5-azaspiro[2.5]octan-7-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(5-benzyl-8-methyl-5-azaspiro[2.5]octan-7-yl)carbamate
PubChem CID20792134
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Nametert-butyl N-(5-benzyl-8-methyl-5-azaspiro[2.5]octan-7-yl)carbamate
SMILESCC1C(NC(=O)OC(C)(C)C)CN(Cc2ccccc2)CC12CC2
InChIInChI=1S/C20H30N2O2/c1-15-17(21-18(23)24-19(2,3)4)13-22(14-20(15)10-11-20)12-16-8-6-5-7-9-16/h5-9,15,17H,10-14H2,1-4H3,(H,21,23)
InChIKeyMUCIWXKVMWBVLL-UHFFFAOYSA-N
XLogP3.81
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(8R)-5-benzyl-8-methyl-5-azaspiro[2.5]octan-7-yl]carbamic acid
CID 20792051
tert-butyl N-[(3R,4R)-1-benzyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-3-yl]carbamate
CID 11784143
tert-butyl N-(7-benzyl-2-oxa-7-azaspiro[3.4]octan-5-yl)carbamate
CID 86691374
tert-butyl N-[(3R,4R)-1-benzyl-3-methylpiperidin-4-yl]carbamate
CID 69019941
tert-butyl N-[(3S,4R)-1-benzyl-4-(trifluoromethyl)pyrrolidin-3-yl]carbamate
CID 70110064
tert-butyl N-[(3R,4R)-1-benzyl-4-phenylpyrrolidin-3-yl]carbamate
CID 124748766
methyl (3R,4R)-1-benzyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-3-carboxylate
CID 67801118
tert-butyl N-(4-amino-1-benzylpiperidin-3-yl)carbamate
CID 123824709
tert-butyl N-[(3R,4R)-1-benzyl-4-cyclopropylpyrrolidin-3-yl]carbamate
CID 102069021
tert-butyl N-[(3S,4S)-1-benzyl-4-(4-chlorobutanoylamino)pyrrolidin-3-yl]carbamate
CID 91155685
tert-butyl N-[1-benzyl-4-(4-bromobutanoylamino)pyrrolidin-3-yl]carbamate
CID 67133715
tert-butyl N-[(2R,3S,6R)-1-benzyl-2,6-dimethylpiperidin-3-yl]carbamate
CID 99723977

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-benzyl-8-methyl-5-azaspiro[2.5]octan-7-yl)carbamate?
The IUPAC name of tert-butyl N-(5-benzyl-8-methyl-5-azaspiro[2.5]octan-7-yl)carbamate (CID 20792134) is tert-butyl N-(5-benzyl-8-methyl-5-azaspiro[2.5]octan-7-yl)carbamate.
What is the SMILES notation for tert-butyl N-(5-benzyl-8-methyl-5-azaspiro[2.5]octan-7-yl)carbamate?
The canonical SMILES for tert-butyl N-(5-benzyl-8-methyl-5-azaspiro[2.5]octan-7-yl)carbamate is CC1C(NC(=O)OC(C)(C)C)CN(Cc2ccccc2)CC12CC2.
What is the InChIKey of tert-butyl N-(5-benzyl-8-methyl-5-azaspiro[2.5]octan-7-yl)carbamate?
The InChIKey is MUCIWXKVMWBVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-15-17(21-18(23)24-19(2,3)4)13-22(14-20(15)10-11-20)12-16-8-6-5-7-9-16/h5-9,15,17H,10-14H2,1-4H3,(H,21,23).
What are the key properties of tert-butyl N-(5-benzyl-8-methyl-5-azaspiro[2.5]octan-7-yl)carbamate?
tert-butyl N-(5-benzyl-8-methyl-5-azaspiro[2.5]octan-7-yl)carbamate has a molecular weight of 330.47 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5-benzyl-8-methyl-5-azaspiro[2.5]octan-7-yl)carbamate is sourced from PubChem (CID 20792134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).