[1-(azetidin-3-yl)-2,2-dimethylpropyl] carbamate;hydrochloride

C9H19ClN2O2 — CID 172605191

IUPAC[1-(azetidin-3-yl)-2,2-dimethylpropyl] carbamate;hydrochloride
SMILESCC(C)(C)C(OC(N)=O)C1CNC1.Cl
InChIInChI=1S/C9H18N2O2.ClH/c1-9(2,3)7(13-8(10)12)6-4-11-5-6;/h6-7,11H,4-5H2,1-3H3,(H2,10,12);1H
InChIKeyZADATAGZOUPHAV-UHFFFAOYSA-N
MW222.72 g/mol
LogP1.14
Rot. Bonds2

About [1-(azetidin-3-yl)-2,2-dimethylpropyl] carbamate;hydrochloride

[1-(azetidin-3-yl)-2,2-dimethylpropyl] carbamate;hydrochloride (PubChem CID 172605191) has the molecular formula C9H19ClN2O2 and a molecular weight of 222.72 g/mol. Its IUPAC name is [1-(azetidin-3-yl)-2,2-dimethylpropyl] carbamate;hydrochloride.

Molecular Properties

Compound Name[1-(azetidin-3-yl)-2,2-dimethylpropyl] carbamate;hydrochloride
PubChem CID172605191
Molecular FormulaC9H19ClN2O2
Molecular Weight222.72 g/mol
Exact Mass222.11
IUPAC Name[1-(azetidin-3-yl)-2,2-dimethylpropyl] carbamate;hydrochloride
SMILESCC(C)(C)C(OC(N)=O)C1CNC1.Cl
InChIInChI=1S/C9H18N2O2.ClH/c1-9(2,3)7(13-8(10)12)6-4-11-5-6;/h6-7,11H,4-5H2,1-3H3,(H2,10,12);1H
InChIKeyZADATAGZOUPHAV-UHFFFAOYSA-N
XLogP1.14
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.72
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(azetidin-3-yl)-2,2-dimethylpropyl] carbamate;hydrochloride?
The IUPAC name of [1-(azetidin-3-yl)-2,2-dimethylpropyl] carbamate;hydrochloride (CID 172605191) is [1-(azetidin-3-yl)-2,2-dimethylpropyl] carbamate;hydrochloride.
What is the SMILES notation for [1-(azetidin-3-yl)-2,2-dimethylpropyl] carbamate;hydrochloride?
The canonical SMILES for [1-(azetidin-3-yl)-2,2-dimethylpropyl] carbamate;hydrochloride is CC(C)(C)C(OC(N)=O)C1CNC1.Cl.
What is the InChIKey of [1-(azetidin-3-yl)-2,2-dimethylpropyl] carbamate;hydrochloride?
The InChIKey is ZADATAGZOUPHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2.ClH/c1-9(2,3)7(13-8(10)12)6-4-11-5-6;/h6-7,11H,4-5H2,1-3H3,(H2,10,12);1H.
What are the key properties of [1-(azetidin-3-yl)-2,2-dimethylpropyl] carbamate;hydrochloride?
[1-(azetidin-3-yl)-2,2-dimethylpropyl] carbamate;hydrochloride has a molecular weight of 222.72 g/mol, XLogP of 1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(azetidin-3-yl)-2,2-dimethylpropyl] carbamate;hydrochloride is sourced from PubChem (CID 172605191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).