tert-butyl N-(6-azaspiro[3.5]nonan-9-yl)carbamate;hydrochloride

C13H25ClN2O2 — CID 138040815

IUPACtert-butyl N-(6-azaspiro[3.5]nonan-9-yl)carbamate;hydrochloride
SMILESCC(C)(C)OC(=O)NC1CCNCC12CCC2.Cl
InChIInChI=1S/C13H24N2O2.ClH/c1-12(2,3)17-11(16)15-10-5-8-14-9-13(10)6-4-7-13;/h10,14H,4-9H2,1-3H3,(H,15,16);1H
InChIKeyVJBUOWAQUUFCMH-UHFFFAOYSA-N
MW276.81 g/mol
LogP2.47
Rot. Bonds1

About tert-butyl N-(6-azaspiro[3.5]nonan-9-yl)carbamate;hydrochloride

tert-butyl N-(6-azaspiro[3.5]nonan-9-yl)carbamate;hydrochloride (PubChem CID 138040815) has the molecular formula C13H25ClN2O2 and a molecular weight of 276.81 g/mol. Its IUPAC name is tert-butyl N-(6-azaspiro[3.5]nonan-9-yl)carbamate;hydrochloride.

Molecular Properties

Compound Nametert-butyl N-(6-azaspiro[3.5]nonan-9-yl)carbamate;hydrochloride
PubChem CID138040815
Molecular FormulaC13H25ClN2O2
Molecular Weight276.81 g/mol
Exact Mass276.16
IUPAC Nametert-butyl N-(6-azaspiro[3.5]nonan-9-yl)carbamate;hydrochloride
SMILESCC(C)(C)OC(=O)NC1CCNCC12CCC2.Cl
InChIInChI=1S/C13H24N2O2.ClH/c1-12(2,3)17-11(16)15-10-5-8-14-9-13(10)6-4-7-13;/h10,14H,4-9H2,1-3H3,(H,15,16);1H
InChIKeyVJBUOWAQUUFCMH-UHFFFAOYSA-N
XLogP2.47
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.81
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(3R,4R)-6-azaspiro[3.4]octan-3-yl]carbamate
CID 97294998
tert-butyl N-[(4R)-3,3-dimethylpiperidin-4-yl]carbamate
CID 92980395
tert-butyl N-(8-azaspiro[4.5]decan-4-yl)carbamate
CID 127264221
tert-butyl N-(8-azaspiro[4.5]decan-10-yl)carbamate
CID 83680565
tert-butyl N-[(2S)-spiro[2.4]heptan-2-yl]carbamate
CID 98042480
tert-butyl N-[(3S)-4,4-dimethylpyrrolidin-3-yl]carbamate
CID 45092197
tert-butyl N-spiro[2.5]octan-2-ylcarbamate
CID 86276839
tert-butyl N-[(5S,7R)-2-azaspiro[4.5]decan-7-yl]carbamate
CID 97299724
tert-butyl N-[(4R)-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate
CID 155904737
tert-butyl N-(2,2-difluorocyclohexyl)carbamate
CID 70317429
tert-butyl N-(2,2-difluorocyclopentyl)carbamate
CID 66792233
tert-butyl N-piperidin-4-ylcarbamate;formic acid
CID 22990009

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(6-azaspiro[3.5]nonan-9-yl)carbamate;hydrochloride?
The IUPAC name of tert-butyl N-(6-azaspiro[3.5]nonan-9-yl)carbamate;hydrochloride (CID 138040815) is tert-butyl N-(6-azaspiro[3.5]nonan-9-yl)carbamate;hydrochloride.
What is the SMILES notation for tert-butyl N-(6-azaspiro[3.5]nonan-9-yl)carbamate;hydrochloride?
The canonical SMILES for tert-butyl N-(6-azaspiro[3.5]nonan-9-yl)carbamate;hydrochloride is CC(C)(C)OC(=O)NC1CCNCC12CCC2.Cl.
What is the InChIKey of tert-butyl N-(6-azaspiro[3.5]nonan-9-yl)carbamate;hydrochloride?
The InChIKey is VJBUOWAQUUFCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2.ClH/c1-12(2,3)17-11(16)15-10-5-8-14-9-13(10)6-4-7-13;/h10,14H,4-9H2,1-3H3,(H,15,16);1H.
What are the key properties of tert-butyl N-(6-azaspiro[3.5]nonan-9-yl)carbamate;hydrochloride?
tert-butyl N-(6-azaspiro[3.5]nonan-9-yl)carbamate;hydrochloride has a molecular weight of 276.81 g/mol, XLogP of 2.47, 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-azaspiro[3.5]nonan-9-yl)carbamate;hydrochloride is sourced from PubChem (CID 138040815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).