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

C9H18N2O2 — CID 68719979

IUPAC[1-(azetidin-3-yl)-2,2-dimethylpropyl] carbamate
SMILESCC(C)(C)C(OC(N)=O)C1CNC1
InChIInChI=1S/C9H18N2O2/c1-9(2,3)7(13-8(10)12)6-4-11-5-6/h6-7,11H,4-5H2,1-3H3,(H2,10,12)
InChIKeyYYFQYSYSEQRXSV-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.72
Rot. Bonds2

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

[1-(azetidin-3-yl)-2,2-dimethylpropyl] carbamate (PubChem CID 68719979) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is [1-(azetidin-3-yl)-2,2-dimethylpropyl] carbamate.

Molecular Properties

Compound Name[1-(azetidin-3-yl)-2,2-dimethylpropyl] carbamate
PubChem CID68719979
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name[1-(azetidin-3-yl)-2,2-dimethylpropyl] carbamate
SMILESCC(C)(C)C(OC(N)=O)C1CNC1
InChIInChI=1S/C9H18N2O2/c1-9(2,3)7(13-8(10)12)6-4-11-5-6/h6-7,11H,4-5H2,1-3H3,(H2,10,12)
InChIKeyYYFQYSYSEQRXSV-UHFFFAOYSA-N
XLogP0.72
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

propan-2-yl N-(4,4-dimethylpentyl)carbamate
CID 89129593
[2,2-Dimethyl-6-(methylamino)hexan-3-yl] carbamate
CID 89512446
[1-(Azetidin-3-yl)-3,3-dimethylbutan-2-yl] carbamate
CID 129314664
(3,3-Dimethylpiperidin-4-yl) carbamate
CID 130533514
propan-2-yl N-(6-amino-2,2,5-trimethylhexyl)carbamate
CID 139621166
butan-2-yl N-(6-amino-2,2,5-trimethylhexyl)carbamate
CID 139621168
[1-(azetidin-3-yl)-2,2-dimethylpropyl] N-methylcarbamate
CID 140796247
ethane;propan-2-yl N-(4,4-dimethylpentyl)carbamate
CID 142012021
2,2,4-trimethylpentan-3-yl N-butylcarbamate
CID 145815671
1-(Azetidin-3-yl)propan-2-yl carbamate
CID 169794377
[1-(Azetidin-3-yl)-2,2-dimethylpropyl] carbamate;hydrochloride
CID 172605191
[2-(Azetidin-3-yl)-4,4-dimethylpentan-2-yl] carbamate
CID 175539211

Frequently Asked Questions

What is the IUPAC name of [1-(azetidin-3-yl)-2,2-dimethylpropyl] carbamate?
The IUPAC name of [1-(azetidin-3-yl)-2,2-dimethylpropyl] carbamate (CID 68719979) is [1-(azetidin-3-yl)-2,2-dimethylpropyl] carbamate.
What is the SMILES notation for [1-(azetidin-3-yl)-2,2-dimethylpropyl] carbamate?
The canonical SMILES for [1-(azetidin-3-yl)-2,2-dimethylpropyl] carbamate is CC(C)(C)C(OC(N)=O)C1CNC1.
What is the InChIKey of [1-(azetidin-3-yl)-2,2-dimethylpropyl] carbamate?
The InChIKey is YYFQYSYSEQRXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-9(2,3)7(13-8(10)12)6-4-11-5-6/h6-7,11H,4-5H2,1-3H3,(H2,10,12).
What are the key properties of [1-(azetidin-3-yl)-2,2-dimethylpropyl] carbamate?
[1-(azetidin-3-yl)-2,2-dimethylpropyl] carbamate has a molecular weight of 186.25 g/mol, XLogP of 0.72, 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 is sourced from PubChem (CID 68719979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).