4-methoxy-2,4-dimethyl-6-propan-2-yloxyoxan-3-amine

C11H23NO3 — CID 58313495

IUPAC4-methoxy-2,4-dimethyl-6-propan-2-yloxyoxan-3-amine
SMILESCOC1(C)CC(OC(C)C)OC(C)C1N
InChIInChI=1S/C11H23NO3/c1-7(2)14-9-6-11(4,13-5)10(12)8(3)15-9/h7-10H,6,12H2,1-5H3
InChIKeyNCPPTPVJAOIKIR-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.28
Rot. Bonds3

About 4-methoxy-2,4-dimethyl-6-propan-2-yloxyoxan-3-amine

4-methoxy-2,4-dimethyl-6-propan-2-yloxyoxan-3-amine (PubChem CID 58313495) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is 4-methoxy-2,4-dimethyl-6-propan-2-yloxyoxan-3-amine.

Molecular Properties

Compound Name4-methoxy-2,4-dimethyl-6-propan-2-yloxyoxan-3-amine
PubChem CID58313495
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name4-methoxy-2,4-dimethyl-6-propan-2-yloxyoxan-3-amine
SMILESCOC1(C)CC(OC(C)C)OC(C)C1N
InChIInChI=1S/C11H23NO3/c1-7(2)14-9-6-11(4,13-5)10(12)8(3)15-9/h7-10H,6,12H2,1-5H3
InChIKeyNCPPTPVJAOIKIR-UHFFFAOYSA-N
XLogP1.28
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,4-dimethyl-6-propan-2-yloxyoxan-3-amine?
The IUPAC name of 4-methoxy-2,4-dimethyl-6-propan-2-yloxyoxan-3-amine (CID 58313495) is 4-methoxy-2,4-dimethyl-6-propan-2-yloxyoxan-3-amine.
What is the SMILES notation for 4-methoxy-2,4-dimethyl-6-propan-2-yloxyoxan-3-amine?
The canonical SMILES for 4-methoxy-2,4-dimethyl-6-propan-2-yloxyoxan-3-amine is COC1(C)CC(OC(C)C)OC(C)C1N.
What is the InChIKey of 4-methoxy-2,4-dimethyl-6-propan-2-yloxyoxan-3-amine?
The InChIKey is NCPPTPVJAOIKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-7(2)14-9-6-11(4,13-5)10(12)8(3)15-9/h7-10H,6,12H2,1-5H3.
What are the key properties of 4-methoxy-2,4-dimethyl-6-propan-2-yloxyoxan-3-amine?
4-methoxy-2,4-dimethyl-6-propan-2-yloxyoxan-3-amine has a molecular weight of 217.31 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,4-dimethyl-6-propan-2-yloxyoxan-3-amine is sourced from PubChem (CID 58313495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).