tert-butyl N-(2-azaspiro[3.3]heptan-6-yl)carbamate;hydrochloride

C11H21ClN2O2 — CID 86767491

IUPACtert-butyl N-(2-azaspiro[3.3]heptan-6-yl)carbamate;hydrochloride
SMILESCC(C)(C)OC(=O)NC1CC2(CNC2)C1.Cl
InChIInChI=1S/C11H20N2O2.ClH/c1-10(2,3)15-9(14)13-8-4-11(5-8)6-12-7-11;/h8,12H,4-7H2,1-3H3,(H,13,14);1H
InChIKeyKWCLMLVKQUKPEG-UHFFFAOYSA-N
MW248.75 g/mol
LogP1.68
Rot. Bonds1

About tert-butyl N-(2-azaspiro[3.3]heptan-6-yl)carbamate;hydrochloride

tert-butyl N-(2-azaspiro[3.3]heptan-6-yl)carbamate;hydrochloride (PubChem CID 86767491) has the molecular formula C11H21ClN2O2 and a molecular weight of 248.75 g/mol. Its IUPAC name is tert-butyl N-(2-azaspiro[3.3]heptan-6-yl)carbamate;hydrochloride.

Molecular Properties

Compound Nametert-butyl N-(2-azaspiro[3.3]heptan-6-yl)carbamate;hydrochloride
PubChem CID86767491
Molecular FormulaC11H21ClN2O2
Molecular Weight248.75 g/mol
Exact Mass248.13
IUPAC Nametert-butyl N-(2-azaspiro[3.3]heptan-6-yl)carbamate;hydrochloride
SMILESCC(C)(C)OC(=O)NC1CC2(CNC2)C1.Cl
InChIInChI=1S/C11H20N2O2.ClH/c1-10(2,3)15-9(14)13-8-4-11(5-8)6-12-7-11;/h8,12H,4-7H2,1-3H3,(H,13,14);1H
InChIKeyKWCLMLVKQUKPEG-UHFFFAOYSA-N
XLogP1.68
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.75
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

bis(tert-butyl N-(2-azaspiro[3.3]heptan-6-yl)carbamate);oxalic acid
CID 91663877
tert-butyl N-(6-aminospiro[3.3]heptan-2-yl)carbamate;hydrochloride
CID 146082168
tert-butyl N-[(7S)-5-azaspiro[2.5]octan-7-yl]carbamate
CID 71206020
tert-butyl N-spiro[3.3]heptan-2-ylcarbamate
CID 129317691
6-aminospiro[3.3]heptan-2-ol;tert-butyl N-(2-hydroxyspiro[3.3]heptan-6-yl)carbamate;dihydrochloride
CID 157204517
tert-butyl N-[(5S,7R)-2-azaspiro[4.5]decan-7-yl]carbamate
CID 97299724
tert-butyl N-(2-oxospiro[3.3]heptan-6-yl)carbamate
CID 39872257
tert-butyl N-(5-oxa-2-azaspiro[3.4]octan-7-yl)carbamate
CID 155893866
tert-butyl N-(3,3-dimethoxycyclobutyl)carbamate
CID 142054635
tert-butyl N-(3-amino-3-methylcyclobutyl)carbamate
CID 71280569
tert-butyl N-[(3R)-5,5-difluoropiperidin-3-yl]carbamate
CID 97291627
tert-butyl N-(2-aminospiro[3.5]nonan-7-yl)carbamate;hydrochloride
CID 155895653

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-azaspiro[3.3]heptan-6-yl)carbamate;hydrochloride?
The IUPAC name of tert-butyl N-(2-azaspiro[3.3]heptan-6-yl)carbamate;hydrochloride (CID 86767491) is tert-butyl N-(2-azaspiro[3.3]heptan-6-yl)carbamate;hydrochloride.
What is the SMILES notation for tert-butyl N-(2-azaspiro[3.3]heptan-6-yl)carbamate;hydrochloride?
The canonical SMILES for tert-butyl N-(2-azaspiro[3.3]heptan-6-yl)carbamate;hydrochloride is CC(C)(C)OC(=O)NC1CC2(CNC2)C1.Cl.
What is the InChIKey of tert-butyl N-(2-azaspiro[3.3]heptan-6-yl)carbamate;hydrochloride?
The InChIKey is KWCLMLVKQUKPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2.ClH/c1-10(2,3)15-9(14)13-8-4-11(5-8)6-12-7-11;/h8,12H,4-7H2,1-3H3,(H,13,14);1H.
What are the key properties of tert-butyl N-(2-azaspiro[3.3]heptan-6-yl)carbamate;hydrochloride?
tert-butyl N-(2-azaspiro[3.3]heptan-6-yl)carbamate;hydrochloride has a molecular weight of 248.75 g/mol, XLogP of 1.68, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-azaspiro[3.3]heptan-6-yl)carbamate;hydrochloride is sourced from PubChem (CID 86767491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).