[1-(2-methoxyethyl)-3-methylazepan-3-yl]methanol

C11H23NO2 — CID 171479021

IUPAC[1-(2-methoxyethyl)-3-methylazepan-3-yl]methanol
SMILESCOCCN1CCCCC(C)(CO)C1
InChIInChI=1S/C11H23NO2/c1-11(10-13)5-3-4-6-12(9-11)7-8-14-2/h13H,3-10H2,1-2H3
InChIKeyJNHQMLGWCOQXTP-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.12
Rot. Bonds4

About [1-(2-methoxyethyl)-3-methylazepan-3-yl]methanol

[1-(2-methoxyethyl)-3-methylazepan-3-yl]methanol (PubChem CID 171479021) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is [1-(2-methoxyethyl)-3-methylazepan-3-yl]methanol.

Molecular Properties

Compound Name[1-(2-methoxyethyl)-3-methylazepan-3-yl]methanol
PubChem CID171479021
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name[1-(2-methoxyethyl)-3-methylazepan-3-yl]methanol
SMILESCOCCN1CCCCC(C)(CO)C1
InChIInChI=1S/C11H23NO2/c1-11(10-13)5-3-4-6-12(9-11)7-8-14-2/h13H,3-10H2,1-2H3
InChIKeyJNHQMLGWCOQXTP-UHFFFAOYSA-N
XLogP1.12
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(2-methoxyethyl)-3-methylazepan-3-yl]methanol?
The IUPAC name of [1-(2-methoxyethyl)-3-methylazepan-3-yl]methanol (CID 171479021) is [1-(2-methoxyethyl)-3-methylazepan-3-yl]methanol.
What is the SMILES notation for [1-(2-methoxyethyl)-3-methylazepan-3-yl]methanol?
The canonical SMILES for [1-(2-methoxyethyl)-3-methylazepan-3-yl]methanol is COCCN1CCCCC(C)(CO)C1.
What is the InChIKey of [1-(2-methoxyethyl)-3-methylazepan-3-yl]methanol?
The InChIKey is JNHQMLGWCOQXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-11(10-13)5-3-4-6-12(9-11)7-8-14-2/h13H,3-10H2,1-2H3.
What are the key properties of [1-(2-methoxyethyl)-3-methylazepan-3-yl]methanol?
[1-(2-methoxyethyl)-3-methylazepan-3-yl]methanol has a molecular weight of 201.31 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methoxyethyl)-3-methylazepan-3-yl]methanol is sourced from PubChem (CID 171479021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).