1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-3-propylazetidine

C12H25NO — CID 146606048

IUPAC1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-3-propylazetidine
SMILESCCCC1CN(CCOC(C)(C)C)C1
InChIInChI=1S/C12H25NO/c1-5-6-11-9-13(10-11)7-8-14-12(2,3)4/h11H,5-10H2,1-4H3
InChIKeyKKYICGOJNNUYOB-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.53
Rot. Bonds5

About 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-3-propylazetidine

1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-3-propylazetidine (PubChem CID 146606048) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-3-propylazetidine.

Molecular Properties

Compound Name1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-3-propylazetidine
PubChem CID146606048
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-3-propylazetidine
SMILESCCCC1CN(CCOC(C)(C)C)C1
InChIInChI=1S/C12H25NO/c1-5-6-11-9-13(10-11)7-8-14-12(2,3)4/h11H,5-10H2,1-4H3
InChIKeyKKYICGOJNNUYOB-UHFFFAOYSA-N
XLogP2.53
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-3-propylazetidine?
The IUPAC name of 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-3-propylazetidine (CID 146606048) is 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-3-propylazetidine.
What is the SMILES notation for 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-3-propylazetidine?
The canonical SMILES for 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-3-propylazetidine is CCCC1CN(CCOC(C)(C)C)C1.
What is the InChIKey of 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-3-propylazetidine?
The InChIKey is KKYICGOJNNUYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-5-6-11-9-13(10-11)7-8-14-12(2,3)4/h11H,5-10H2,1-4H3.
What are the key properties of 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-3-propylazetidine?
1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-3-propylazetidine has a molecular weight of 199.34 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-3-propylazetidine is sourced from PubChem (CID 146606048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).