tert-butyl N-spiro[3.3]heptan-2-ylcarbamate

C12H21NO2 — CID 129317691

IUPACtert-butyl N-spiro[3.3]heptan-2-ylcarbamate
SMILESCC(C)(C)OC(=O)NC1CC2(CCC2)C1
InChIInChI=1S/C12H21NO2/c1-11(2,3)15-10(14)13-9-7-12(8-9)5-4-6-12/h9H,4-8H2,1-3H3,(H,13,14)
InChIKeyTXOQCJJOUWQKJH-UHFFFAOYSA-N
MW211.30 g/mol
LogP2.84
Rot. Bonds1

About tert-butyl N-spiro[3.3]heptan-2-ylcarbamate

tert-butyl N-spiro[3.3]heptan-2-ylcarbamate (PubChem CID 129317691) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is tert-butyl N-spiro[3.3]heptan-2-ylcarbamate.

Molecular Properties

Compound Nametert-butyl N-spiro[3.3]heptan-2-ylcarbamate
PubChem CID129317691
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Nametert-butyl N-spiro[3.3]heptan-2-ylcarbamate
SMILESCC(C)(C)OC(=O)NC1CC2(CCC2)C1
InChIInChI=1S/C12H21NO2/c1-11(2,3)15-10(14)13-9-7-12(8-9)5-4-6-12/h9H,4-8H2,1-3H3,(H,13,14)
InChIKeyTXOQCJJOUWQKJH-UHFFFAOYSA-N
XLogP2.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-(2-azaspiro[3.3]heptan-6-yl)carbamate;hydrochloride
CID 86767491
tert-butyl N-(6-aminospiro[3.3]heptan-2-yl)carbamate;hydrochloride
CID 146082168
tert-butyl N-(2-oxospiro[3.3]heptan-6-yl)carbamate
CID 39872257
tert-butyl N-(2-aminospiro[3.5]nonan-8-yl)carbamate;hydrochloride
CID 155894270
bis(tert-butyl N-(2-azaspiro[3.3]heptan-6-yl)carbamate);oxalic acid
CID 91663877
tert-butyl N-[(5S,7R)-2-azaspiro[4.5]decan-7-yl]carbamate
CID 97299724
tert-butyl N-(3-amino-3-methylcyclobutyl)carbamate
CID 71280569
tert-butyl N-(3,3-dimethoxycyclobutyl)carbamate
CID 142054635
tert-butyl N-(9-hydroxyspiro[3.5]nonan-2-yl)carbamate
CID 170896883
tert-butyl N-(2-aminospiro[3.5]nonan-7-yl)carbamate;hydrochloride
CID 155895653
tert-butyl N-[(7S)-5-azaspiro[2.5]octan-7-yl]carbamate
CID 71206020
tert-butyl N-(3,3-dicarbonofluoridoylcyclobutyl)carbamate
CID 155092613

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-spiro[3.3]heptan-2-ylcarbamate?
The IUPAC name of tert-butyl N-spiro[3.3]heptan-2-ylcarbamate (CID 129317691) is tert-butyl N-spiro[3.3]heptan-2-ylcarbamate.
What is the SMILES notation for tert-butyl N-spiro[3.3]heptan-2-ylcarbamate?
The canonical SMILES for tert-butyl N-spiro[3.3]heptan-2-ylcarbamate is CC(C)(C)OC(=O)NC1CC2(CCC2)C1.
What is the InChIKey of tert-butyl N-spiro[3.3]heptan-2-ylcarbamate?
The InChIKey is TXOQCJJOUWQKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-11(2,3)15-10(14)13-9-7-12(8-9)5-4-6-12/h9H,4-8H2,1-3H3,(H,13,14).
What are the key properties of tert-butyl N-spiro[3.3]heptan-2-ylcarbamate?
tert-butyl N-spiro[3.3]heptan-2-ylcarbamate has a molecular weight of 211.30 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-spiro[3.3]heptan-2-ylcarbamate is sourced from PubChem (CID 129317691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).