[1-(hydroxymethylamino)cyclononyl]methanol

C11H23NO2 — CID 174794009

IUPAC[1-(hydroxymethylamino)cyclononyl]methanol
SMILESOCNC1(CO)CCCCCCCC1
InChIInChI=1S/C11H23NO2/c13-9-11(12-10-14)7-5-3-1-2-4-6-8-11/h12-14H,1-10H2
InChIKeyIKSDOFKMJKVFIB-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.39
Rot. Bonds3

About [1-(hydroxymethylamino)cyclononyl]methanol

[1-(hydroxymethylamino)cyclononyl]methanol (PubChem CID 174794009) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is [1-(hydroxymethylamino)cyclononyl]methanol.

Molecular Properties

Compound Name[1-(hydroxymethylamino)cyclononyl]methanol
PubChem CID174794009
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name[1-(hydroxymethylamino)cyclononyl]methanol
SMILESOCNC1(CO)CCCCCCCC1
InChIInChI=1S/C11H23NO2/c13-9-11(12-10-14)7-5-3-1-2-4-6-8-11/h12-14H,1-10H2
InChIKeyIKSDOFKMJKVFIB-UHFFFAOYSA-N
XLogP1.39
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-(hydroxymethylamino)cyclononyl]methanol?
The IUPAC name of [1-(hydroxymethylamino)cyclononyl]methanol (CID 174794009) is [1-(hydroxymethylamino)cyclononyl]methanol.
What is the SMILES notation for [1-(hydroxymethylamino)cyclononyl]methanol?
The canonical SMILES for [1-(hydroxymethylamino)cyclononyl]methanol is OCNC1(CO)CCCCCCCC1.
What is the InChIKey of [1-(hydroxymethylamino)cyclononyl]methanol?
The InChIKey is IKSDOFKMJKVFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c13-9-11(12-10-14)7-5-3-1-2-4-6-8-11/h12-14H,1-10H2.
What are the key properties of [1-(hydroxymethylamino)cyclononyl]methanol?
[1-(hydroxymethylamino)cyclononyl]methanol has a molecular weight of 201.31 g/mol, XLogP of 1.39, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(hydroxymethylamino)cyclononyl]methanol is sourced from PubChem (CID 174794009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).