1-methyl-4-propoxyazonane

C12H25NO — CID 134172223

IUPAC1-methyl-4-propoxyazonane
SMILESCCCOC1CCCCCN(C)CC1
InChIInChI=1S/C12H25NO/c1-3-11-14-12-7-5-4-6-9-13(2)10-8-12/h12H,3-11H2,1-2H3
InChIKeyUVZNXEXWUUDJIY-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.68
Rot. Bonds3

About 1-methyl-4-propoxyazonane

1-methyl-4-propoxyazonane (PubChem CID 134172223) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 1-methyl-4-propoxyazonane.

Molecular Properties

Compound Name1-methyl-4-propoxyazonane
PubChem CID134172223
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name1-methyl-4-propoxyazonane
SMILESCCCOC1CCCCCN(C)CC1
InChIInChI=1S/C12H25NO/c1-3-11-14-12-7-5-4-6-9-13(2)10-8-12/h12H,3-11H2,1-2H3
InChIKeyUVZNXEXWUUDJIY-UHFFFAOYSA-N
XLogP2.68
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-propoxyazonane?
The IUPAC name of 1-methyl-4-propoxyazonane (CID 134172223) is 1-methyl-4-propoxyazonane.
What is the SMILES notation for 1-methyl-4-propoxyazonane?
The canonical SMILES for 1-methyl-4-propoxyazonane is CCCOC1CCCCCN(C)CC1.
What is the InChIKey of 1-methyl-4-propoxyazonane?
The InChIKey is UVZNXEXWUUDJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-3-11-14-12-7-5-4-6-9-13(2)10-8-12/h12H,3-11H2,1-2H3.
What are the key properties of 1-methyl-4-propoxyazonane?
1-methyl-4-propoxyazonane has a molecular weight of 199.34 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-propoxyazonane is sourced from PubChem (CID 134172223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).