tert-butyl N-(4-azaspiro[2.4]heptan-7-ylmethyl)carbamate

C12H22N2O2 — CID 105484052

IUPACtert-butyl N-(4-azaspiro[2.4]heptan-7-ylmethyl)carbamate
SMILESCC(C)(C)OC(=O)NCC1CCNC12CC2
InChIInChI=1S/C12H22N2O2/c1-11(2,3)16-10(15)13-8-9-4-7-14-12(9)5-6-12/h9,14H,4-8H2,1-3H3,(H,13,15)
InChIKeyOPSJVEKILCODII-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.65
Rot. Bonds2

About tert-butyl N-(4-azaspiro[2.4]heptan-7-ylmethyl)carbamate

tert-butyl N-(4-azaspiro[2.4]heptan-7-ylmethyl)carbamate (PubChem CID 105484052) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is tert-butyl N-(4-azaspiro[2.4]heptan-7-ylmethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-azaspiro[2.4]heptan-7-ylmethyl)carbamate
PubChem CID105484052
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Nametert-butyl N-(4-azaspiro[2.4]heptan-7-ylmethyl)carbamate
SMILESCC(C)(C)OC(=O)NCC1CCNC12CC2
InChIInChI=1S/C12H22N2O2/c1-11(2,3)16-10(15)13-8-9-4-7-14-12(9)5-6-12/h9,14H,4-8H2,1-3H3,(H,13,15)
InChIKeyOPSJVEKILCODII-UHFFFAOYSA-N
XLogP1.65
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(2,2-dimethylpiperidin-4-yl)methyl]carbamate
CID 84801666
tert-butyl N-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]methyl]carbamate
CID 22668023
tert-butyl N-[(4-hydroxy-4-methylcyclohexyl)methyl]carbamate
CID 86647903
tert-butyl N-(cyclobutylmethyl)carbamate
CID 23087339
tert-butyl N-[[(5S,6R)-2,4-dioxo-1,3-diazaspiro[4.5]decan-6-yl]methyl]carbamate
CID 95566495
tert-butyl N-[[(5R,6R)-2,4-dioxo-1,3-diazaspiro[4.5]decan-6-yl]methyl]carbamate
CID 95566497
tert-butyl N-[(3-oxospiro[3.3]heptan-1-yl)methyl]carbamate
CID 139026887
tert-butyl N-[[2-(hydroxymethyl)spiro[2.2]pentan-5-yl]methyl]carbamate
CID 170911752
tert-butyl N-(aziridin-2-ylmethyl)carbamate
CID 87499538
tert-butyl N-[[(3R,4R)-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrolidin-3-yl]methyl]carbamate
CID 54508175
tert-butyl N-[[(5R,6R)-3-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-6-yl]methyl]carbamate
CID 99813858
acetic acid;tert-butyl N-(cyclohexylmethyl)carbamate
CID 18446943

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-azaspiro[2.4]heptan-7-ylmethyl)carbamate?
The IUPAC name of tert-butyl N-(4-azaspiro[2.4]heptan-7-ylmethyl)carbamate (CID 105484052) is tert-butyl N-(4-azaspiro[2.4]heptan-7-ylmethyl)carbamate.
What is the SMILES notation for tert-butyl N-(4-azaspiro[2.4]heptan-7-ylmethyl)carbamate?
The canonical SMILES for tert-butyl N-(4-azaspiro[2.4]heptan-7-ylmethyl)carbamate is CC(C)(C)OC(=O)NCC1CCNC12CC2.
What is the InChIKey of tert-butyl N-(4-azaspiro[2.4]heptan-7-ylmethyl)carbamate?
The InChIKey is OPSJVEKILCODII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-11(2,3)16-10(15)13-8-9-4-7-14-12(9)5-6-12/h9,14H,4-8H2,1-3H3,(H,13,15).
What are the key properties of tert-butyl N-(4-azaspiro[2.4]heptan-7-ylmethyl)carbamate?
tert-butyl N-(4-azaspiro[2.4]heptan-7-ylmethyl)carbamate has a molecular weight of 226.32 g/mol, XLogP of 1.65, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-azaspiro[2.4]heptan-7-ylmethyl)carbamate is sourced from PubChem (CID 105484052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).