3-(3-methylpentoxy)-1-propan-2-ylazetidine

C12H25NO — CID 139366100

IUPAC3-(3-methylpentoxy)-1-propan-2-ylazetidine
SMILESCCC(C)CCOC1CN(C(C)C)C1
InChIInChI=1S/C12H25NO/c1-5-11(4)6-7-14-12-8-13(9-12)10(2)3/h10-12H,5-9H2,1-4H3
InChIKeyBAOSLWXASCMYFP-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.53
Rot. Bonds6

About 3-(3-methylpentoxy)-1-propan-2-ylazetidine

3-(3-methylpentoxy)-1-propan-2-ylazetidine (PubChem CID 139366100) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 3-(3-methylpentoxy)-1-propan-2-ylazetidine.

Molecular Properties

Compound Name3-(3-methylpentoxy)-1-propan-2-ylazetidine
PubChem CID139366100
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name3-(3-methylpentoxy)-1-propan-2-ylazetidine
SMILESCCC(C)CCOC1CN(C(C)C)C1
InChIInChI=1S/C12H25NO/c1-5-11(4)6-7-14-12-8-13(9-12)10(2)3/h10-12H,5-9H2,1-4H3
InChIKeyBAOSLWXASCMYFP-UHFFFAOYSA-N
XLogP2.53
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
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 3-(3-methylpentoxy)-1-propan-2-ylazetidine?
The IUPAC name of 3-(3-methylpentoxy)-1-propan-2-ylazetidine (CID 139366100) is 3-(3-methylpentoxy)-1-propan-2-ylazetidine.
What is the SMILES notation for 3-(3-methylpentoxy)-1-propan-2-ylazetidine?
The canonical SMILES for 3-(3-methylpentoxy)-1-propan-2-ylazetidine is CCC(C)CCOC1CN(C(C)C)C1.
What is the InChIKey of 3-(3-methylpentoxy)-1-propan-2-ylazetidine?
The InChIKey is BAOSLWXASCMYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-5-11(4)6-7-14-12-8-13(9-12)10(2)3/h10-12H,5-9H2,1-4H3.
What are the key properties of 3-(3-methylpentoxy)-1-propan-2-ylazetidine?
3-(3-methylpentoxy)-1-propan-2-ylazetidine has a molecular weight of 199.34 g/mol, XLogP of 2.53, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylpentoxy)-1-propan-2-ylazetidine is sourced from PubChem (CID 139366100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).