tert-butyl N-(1-oxa-9-azaspiro[5.5]undecan-4-yl)carbamate;hydrochloride

C14H27ClN2O3 — CID 136575551

IUPACtert-butyl N-(1-oxa-9-azaspiro[5.5]undecan-4-yl)carbamate;hydrochloride
SMILESCC(C)(C)OC(=O)NC1CCOC2(CCNCC2)C1.Cl
InChIInChI=1S/C14H26N2O3.ClH/c1-13(2,3)19-12(17)16-11-4-9-18-14(10-11)5-7-15-8-6-14;/h11,15H,4-10H2,1-3H3,(H,16,17);1H
InChIKeyGQEKARRUDXKFTM-UHFFFAOYSA-N
MW306.83 g/mol
LogP2.23
Rot. Bonds1

About tert-butyl N-(1-oxa-9-azaspiro[5.5]undecan-4-yl)carbamate;hydrochloride

tert-butyl N-(1-oxa-9-azaspiro[5.5]undecan-4-yl)carbamate;hydrochloride (PubChem CID 136575551) has the molecular formula C14H27ClN2O3 and a molecular weight of 306.83 g/mol. Its IUPAC name is tert-butyl N-(1-oxa-9-azaspiro[5.5]undecan-4-yl)carbamate;hydrochloride.

Molecular Properties

Compound Nametert-butyl N-(1-oxa-9-azaspiro[5.5]undecan-4-yl)carbamate;hydrochloride
PubChem CID136575551
Molecular FormulaC14H27ClN2O3
Molecular Weight306.83 g/mol
Exact Mass306.17
IUPAC Nametert-butyl N-(1-oxa-9-azaspiro[5.5]undecan-4-yl)carbamate;hydrochloride
SMILESCC(C)(C)OC(=O)NC1CCOC2(CCNCC2)C1.Cl
InChIInChI=1S/C14H26N2O3.ClH/c1-13(2,3)19-12(17)16-11-4-9-18-14(10-11)5-7-15-8-6-14;/h11,15H,4-10H2,1-3H3,(H,16,17);1H
InChIKeyGQEKARRUDXKFTM-UHFFFAOYSA-N
XLogP2.23
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.83
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-(1-oxa-9-azaspiro[5.5]undecan-4-yl)carbamate;hydrochloride with MolForge

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Related Compounds

rac-tert-butyl N-((2R,3S)-2-(piperidin-4-yl)oxan-3-yl)carbamate
CID 125180940
Tert-butyl 4-amino-9-oxa-1-azaspiro[5.5]undecane-1-carboxylate
CID 129980991
tert-Butyl 5-amino-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate
CID 129981205
tert-butylN-{8-amino-5-oxaspiro[3.5]nonan-2-yl}carbamate
CID 165768782
N-Cyclopropyl-N-{1-oxa-9-azaspiro[5.5]undecan-4-YL}acetamide
CID 86820457
N-propan-2-yl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 110203878
rac-tert-butyl N-[(2R,3S)-2-(piperidin-4-yl)oxolan-3-yl]carbamate
CID 121552702
tert-butyl N-[(5R)-9-oxa-1-azaspiro[5.5]undecan-5-yl]carbamate
CID 134959850
2,2,2-trifluoroethyl N-(2,2-diethyloxan-4-yl)carbamate
CID 82760710
tert-butyl N-[3-[(2-ethyl-2-methyloxan-4-yl)amino]-2,2-difluoropropyl]carbamate
CID 107257379
tert-Butyl N-{1-oxa-9-azaspiro[5.5]undecan-4-yl}carbamate
CID 129981436
tert-Butyl 4-amino-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate
CID 71305746

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-oxa-9-azaspiro[5.5]undecan-4-yl)carbamate;hydrochloride?
The IUPAC name of tert-butyl N-(1-oxa-9-azaspiro[5.5]undecan-4-yl)carbamate;hydrochloride (CID 136575551) is tert-butyl N-(1-oxa-9-azaspiro[5.5]undecan-4-yl)carbamate;hydrochloride.
What is the SMILES notation for tert-butyl N-(1-oxa-9-azaspiro[5.5]undecan-4-yl)carbamate;hydrochloride?
The canonical SMILES for tert-butyl N-(1-oxa-9-azaspiro[5.5]undecan-4-yl)carbamate;hydrochloride is CC(C)(C)OC(=O)NC1CCOC2(CCNCC2)C1.Cl.
What is the InChIKey of tert-butyl N-(1-oxa-9-azaspiro[5.5]undecan-4-yl)carbamate;hydrochloride?
The InChIKey is GQEKARRUDXKFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3.ClH/c1-13(2,3)19-12(17)16-11-4-9-18-14(10-11)5-7-15-8-6-14;/h11,15H,4-10H2,1-3H3,(H,16,17);1H.
What are the key properties of tert-butyl N-(1-oxa-9-azaspiro[5.5]undecan-4-yl)carbamate;hydrochloride?
tert-butyl N-(1-oxa-9-azaspiro[5.5]undecan-4-yl)carbamate;hydrochloride has a molecular weight of 306.83 g/mol, XLogP of 2.23, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-oxa-9-azaspiro[5.5]undecan-4-yl)carbamate;hydrochloride is sourced from PubChem (CID 136575551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).