1-(1-methoxypropan-2-yl)-4-methylazepan-4-ol

C11H23NO2 — CID 107408062

IUPAC1-(1-methoxypropan-2-yl)-4-methylazepan-4-ol
SMILESCOCC(C)N1CCCC(C)(O)CC1
InChIInChI=1S/C11H23NO2/c1-10(9-14-3)12-7-4-5-11(2,13)6-8-12/h10,13H,4-9H2,1-3H3
InChIKeyXGMDDJUSHFPBKR-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.26
Rot. Bonds3

About 1-(1-methoxypropan-2-yl)-4-methylazepan-4-ol

1-(1-methoxypropan-2-yl)-4-methylazepan-4-ol (PubChem CID 107408062) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 1-(1-methoxypropan-2-yl)-4-methylazepan-4-ol.

Molecular Properties

Compound Name1-(1-methoxypropan-2-yl)-4-methylazepan-4-ol
PubChem CID107408062
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name1-(1-methoxypropan-2-yl)-4-methylazepan-4-ol
SMILESCOCC(C)N1CCCC(C)(O)CC1
InChIInChI=1S/C11H23NO2/c1-10(9-14-3)12-7-4-5-11(2,13)6-8-12/h10,13H,4-9H2,1-3H3
InChIKeyXGMDDJUSHFPBKR-UHFFFAOYSA-N
XLogP1.26
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxypropan-2-yl)-4-methylazepan-4-ol?
The IUPAC name of 1-(1-methoxypropan-2-yl)-4-methylazepan-4-ol (CID 107408062) is 1-(1-methoxypropan-2-yl)-4-methylazepan-4-ol.
What is the SMILES notation for 1-(1-methoxypropan-2-yl)-4-methylazepan-4-ol?
The canonical SMILES for 1-(1-methoxypropan-2-yl)-4-methylazepan-4-ol is COCC(C)N1CCCC(C)(O)CC1.
What is the InChIKey of 1-(1-methoxypropan-2-yl)-4-methylazepan-4-ol?
The InChIKey is XGMDDJUSHFPBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-10(9-14-3)12-7-4-5-11(2,13)6-8-12/h10,13H,4-9H2,1-3H3.
What are the key properties of 1-(1-methoxypropan-2-yl)-4-methylazepan-4-ol?
1-(1-methoxypropan-2-yl)-4-methylazepan-4-ol has a molecular weight of 201.31 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxypropan-2-yl)-4-methylazepan-4-ol is sourced from PubChem (CID 107408062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).