tert-butyl N-[(5S,7R)-2-azaspiro[4.5]decan-7-yl]carbamate

C14H26N2O2 — CID 97299724

IUPACtert-butyl N-[(5S,7R)-2-azaspiro[4.5]decan-7-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CCC[C@]2(CCNC2)C1
InChIInChI=1S/C14H26N2O2/c1-13(2,3)18-12(17)16-11-5-4-6-14(9-11)7-8-15-10-14/h11,15H,4-10H2,1-3H3,(H,16,17)/t11-,14+/m1/s1
InChIKeyZRGNCGMVKKCVGY-RISCZKNCSA-N
MW254.37 g/mol
LogP2.43
Rot. Bonds1

About tert-butyl N-[(5S,7R)-2-azaspiro[4.5]decan-7-yl]carbamate

tert-butyl N-[(5S,7R)-2-azaspiro[4.5]decan-7-yl]carbamate (PubChem CID 97299724) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is tert-butyl N-[(5S,7R)-2-azaspiro[4.5]decan-7-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(5S,7R)-2-azaspiro[4.5]decan-7-yl]carbamate
PubChem CID97299724
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Nametert-butyl N-[(5S,7R)-2-azaspiro[4.5]decan-7-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CCC[C@]2(CCNC2)C1
InChIInChI=1S/C14H26N2O2/c1-13(2,3)18-12(17)16-11-5-4-6-14(9-11)7-8-15-10-14/h11,15H,4-10H2,1-3H3,(H,16,17)/t11-,14+/m1/s1
InChIKeyZRGNCGMVKKCVGY-RISCZKNCSA-N
XLogP2.43
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(2-aminospiro[3.5]nonan-8-yl)carbamate;hydrochloride
CID 155894270
tert-butyl N-[(7S)-5-azaspiro[2.5]octan-7-yl]carbamate
CID 71206020
tert-butyl N-(2-azaspiro[3.3]heptan-6-yl)carbamate;hydrochloride
CID 86767491
tert-butyl N-spiro[3.3]heptan-2-ylcarbamate
CID 129317691
tert-butyl N-(8-azaspiro[4.5]decan-4-yl)carbamate
CID 127264221
bis(tert-butyl N-(2-azaspiro[3.3]heptan-6-yl)carbamate);oxalic acid
CID 91663877
tert-butyl N-[(5S,7S)-1-oxo-2-azaspiro[4.5]decan-7-yl]carbamate
CID 67108890
tert-butyl N-[(3R,4R)-6-azaspiro[3.4]octan-3-yl]carbamate
CID 97294998
tert-butyl N-(3-methoxy-3-methylcyclohexyl)carbamate
CID 90063142
tert-butyl N-(6-azaspiro[3.5]nonan-9-yl)carbamate;hydrochloride
CID 138040815
tert-butyl N-(8-azaspiro[4.5]decan-10-yl)carbamate
CID 83680565
tert-butyl N-[(1R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 22884203

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(5S,7R)-2-azaspiro[4.5]decan-7-yl]carbamate?
The IUPAC name of tert-butyl N-[(5S,7R)-2-azaspiro[4.5]decan-7-yl]carbamate (CID 97299724) is tert-butyl N-[(5S,7R)-2-azaspiro[4.5]decan-7-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(5S,7R)-2-azaspiro[4.5]decan-7-yl]carbamate?
The canonical SMILES for tert-butyl N-[(5S,7R)-2-azaspiro[4.5]decan-7-yl]carbamate is CC(C)(C)OC(=O)N[C@@H]1CCC[C@]2(CCNC2)C1.
What is the InChIKey of tert-butyl N-[(5S,7R)-2-azaspiro[4.5]decan-7-yl]carbamate?
The InChIKey is ZRGNCGMVKKCVGY-RISCZKNCSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-13(2,3)18-12(17)16-11-5-4-6-14(9-11)7-8-15-10-14/h11,15H,4-10H2,1-3H3,(H,16,17)/t11-,14+/m1/s1.
What are the key properties of tert-butyl N-[(5S,7R)-2-azaspiro[4.5]decan-7-yl]carbamate?
tert-butyl N-[(5S,7R)-2-azaspiro[4.5]decan-7-yl]carbamate has a molecular weight of 254.37 g/mol, XLogP of 2.43, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(5S,7R)-2-azaspiro[4.5]decan-7-yl]carbamate is sourced from PubChem (CID 97299724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).