5-methoxy-5-methyl-1-propan-2-yloxyhexan-2-amine

C11H25NO2 — CID 103031240

IUPAC5-methoxy-5-methyl-1-propan-2-yloxyhexan-2-amine
SMILESCOC(C)(C)CCC(N)COC(C)C
InChIInChI=1S/C11H25NO2/c1-9(2)14-8-10(12)6-7-11(3,4)13-5/h9-10H,6-8,12H2,1-5H3
InChIKeyAFVRCANDMRWPMA-UHFFFAOYSA-N
MW203.33 g/mol
LogP1.94
Rot. Bonds7

About 5-methoxy-5-methyl-1-propan-2-yloxyhexan-2-amine

5-methoxy-5-methyl-1-propan-2-yloxyhexan-2-amine (PubChem CID 103031240) has the molecular formula C11H25NO2 and a molecular weight of 203.33 g/mol. Its IUPAC name is 5-methoxy-5-methyl-1-propan-2-yloxyhexan-2-amine.

Molecular Properties

Compound Name5-methoxy-5-methyl-1-propan-2-yloxyhexan-2-amine
PubChem CID103031240
Molecular FormulaC11H25NO2
Molecular Weight203.33 g/mol
Exact Mass203.19
IUPAC Name5-methoxy-5-methyl-1-propan-2-yloxyhexan-2-amine
SMILESCOC(C)(C)CCC(N)COC(C)C
InChIInChI=1S/C11H25NO2/c1-9(2)14-8-10(12)6-7-11(3,4)13-5/h9-10H,6-8,12H2,1-5H3
InChIKeyAFVRCANDMRWPMA-UHFFFAOYSA-N
XLogP1.94
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-5-methyl-1-propan-2-yloxyhexan-2-amine?
The IUPAC name of 5-methoxy-5-methyl-1-propan-2-yloxyhexan-2-amine (CID 103031240) is 5-methoxy-5-methyl-1-propan-2-yloxyhexan-2-amine.
What is the SMILES notation for 5-methoxy-5-methyl-1-propan-2-yloxyhexan-2-amine?
The canonical SMILES for 5-methoxy-5-methyl-1-propan-2-yloxyhexan-2-amine is COC(C)(C)CCC(N)COC(C)C.
What is the InChIKey of 5-methoxy-5-methyl-1-propan-2-yloxyhexan-2-amine?
The InChIKey is AFVRCANDMRWPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2/c1-9(2)14-8-10(12)6-7-11(3,4)13-5/h9-10H,6-8,12H2,1-5H3.
What are the key properties of 5-methoxy-5-methyl-1-propan-2-yloxyhexan-2-amine?
5-methoxy-5-methyl-1-propan-2-yloxyhexan-2-amine has a molecular weight of 203.33 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-5-methyl-1-propan-2-yloxyhexan-2-amine is sourced from PubChem (CID 103031240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).