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

C12H23ClN2O2 — CID 146082168

IUPACtert-butyl N-(6-aminospiro[3.3]heptan-2-yl)carbamate;hydrochloride
SMILESCC(C)(C)OC(=O)NC1CC2(CC(N)C2)C1.Cl
InChIInChI=1S/C12H22N2O2.ClH/c1-11(2,3)16-10(15)14-9-6-12(7-9)4-8(13)5-12;/h8-9H,4-7,13H2,1-3H3,(H,14,15);1H
InChIKeyWFOYWFRNEOROEZ-UHFFFAOYSA-N
MW262.78 g/mol
LogP2.20
Rot. Bonds1

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

tert-butyl N-(6-aminospiro[3.3]heptan-2-yl)carbamate;hydrochloride (PubChem CID 146082168) has the molecular formula C12H23ClN2O2 and a molecular weight of 262.78 g/mol. Its IUPAC name is tert-butyl N-(6-aminospiro[3.3]heptan-2-yl)carbamate;hydrochloride.

Molecular Properties

Compound Nametert-butyl N-(6-aminospiro[3.3]heptan-2-yl)carbamate;hydrochloride
PubChem CID146082168
Molecular FormulaC12H23ClN2O2
Molecular Weight262.78 g/mol
Exact Mass262.14
IUPAC Nametert-butyl N-(6-aminospiro[3.3]heptan-2-yl)carbamate;hydrochloride
SMILESCC(C)(C)OC(=O)NC1CC2(CC(N)C2)C1.Cl
InChIInChI=1S/C12H22N2O2.ClH/c1-11(2,3)16-10(15)14-9-6-12(7-9)4-8(13)5-12;/h8-9H,4-7,13H2,1-3H3,(H,14,15);1H
InChIKeyWFOYWFRNEOROEZ-UHFFFAOYSA-N
XLogP2.20
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.78
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-aminospiro[3.3]heptan-2-ol;tert-butyl N-(2-hydroxyspiro[3.3]heptan-6-yl)carbamate;dihydrochloride
CID 157204517
tert-butyl N-(2-aminospiro[3.5]nonan-7-yl)carbamate;hydrochloride
CID 155895653
tert-butyl N-(2-aminospiro[3.5]nonan-8-yl)carbamate;hydrochloride
CID 155894270
tert-butyl N-(2-ethyl-2-azaspiro[3.3]heptan-6-yl)carbamate;2-ethyl-2-azaspiro[3.3]heptan-6-amine;hydrochloride
CID 160978622
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
bis(tert-butyl N-(2-azaspiro[3.3]heptan-6-yl)carbamate);oxalic acid
CID 91663877
tert-butyl N-(4-aminocyclohexyl)carbamate;dihydrochloride
CID 140801985
tert-butyl N-(3-amino-3-methylcyclobutyl)carbamate
CID 71280569
tert-butyl N-(2-oxospiro[3.3]heptan-6-yl)carbamate
CID 39872257
tert-butyl N-[(1S,2R)-2-aminocyclopropyl]carbamate
CID 84766300
tert-butyl N-(3-aminocyclopentyl)carbamate;hydrochloride
CID 45156792

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(6-aminospiro[3.3]heptan-2-yl)carbamate;hydrochloride?
The IUPAC name of tert-butyl N-(6-aminospiro[3.3]heptan-2-yl)carbamate;hydrochloride (CID 146082168) is tert-butyl N-(6-aminospiro[3.3]heptan-2-yl)carbamate;hydrochloride.
What is the SMILES notation for tert-butyl N-(6-aminospiro[3.3]heptan-2-yl)carbamate;hydrochloride?
The canonical SMILES for tert-butyl N-(6-aminospiro[3.3]heptan-2-yl)carbamate;hydrochloride is CC(C)(C)OC(=O)NC1CC2(CC(N)C2)C1.Cl.
What is the InChIKey of tert-butyl N-(6-aminospiro[3.3]heptan-2-yl)carbamate;hydrochloride?
The InChIKey is WFOYWFRNEOROEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2.ClH/c1-11(2,3)16-10(15)14-9-6-12(7-9)4-8(13)5-12;/h8-9H,4-7,13H2,1-3H3,(H,14,15);1H.
What are the key properties of tert-butyl N-(6-aminospiro[3.3]heptan-2-yl)carbamate;hydrochloride?
tert-butyl N-(6-aminospiro[3.3]heptan-2-yl)carbamate;hydrochloride has a molecular weight of 262.78 g/mol, XLogP of 2.20, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(6-aminospiro[3.3]heptan-2-yl)carbamate;hydrochloride is sourced from PubChem (CID 146082168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).