9-(9-hydroxynonylamino)nonan-1-ol

C18H39NO2 — CID 19798180

IUPAC9-(9-hydroxynonylamino)nonan-1-ol
SMILESOCCCCCCCCCNCCCCCCCCCO
InChIInChI=1S/C18H39NO2/c20-17-13-9-5-1-3-7-11-15-19-16-12-8-4-2-6-10-14-18-21/h19-21H,1-18H2
InChIKeyRCQAGVDHNPJTRV-UHFFFAOYSA-N
MW301.52 g/mol
LogP4.02
Rot. Bonds18

About 9-(9-hydroxynonylamino)nonan-1-ol

9-(9-hydroxynonylamino)nonan-1-ol (PubChem CID 19798180) has the molecular formula C18H39NO2 and a molecular weight of 301.52 g/mol. Its IUPAC name is 9-(9-hydroxynonylamino)nonan-1-ol.

Molecular Properties

Compound Name9-(9-hydroxynonylamino)nonan-1-ol
PubChem CID19798180
Molecular FormulaC18H39NO2
Molecular Weight301.52 g/mol
Exact Mass301.30
IUPAC Name9-(9-hydroxynonylamino)nonan-1-ol
SMILESOCCCCCCCCCNCCCCCCCCCO
InChIInChI=1S/C18H39NO2/c20-17-13-9-5-1-3-7-11-15-19-16-12-8-4-2-6-10-14-18-21/h19-21H,1-18H2
InChIKeyRCQAGVDHNPJTRV-UHFFFAOYSA-N
XLogP4.02
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.52
LogP ≤ 54.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-(9-hydroxynonylamino)nonan-1-ol?
The IUPAC name of 9-(9-hydroxynonylamino)nonan-1-ol (CID 19798180) is 9-(9-hydroxynonylamino)nonan-1-ol.
What is the SMILES notation for 9-(9-hydroxynonylamino)nonan-1-ol?
The canonical SMILES for 9-(9-hydroxynonylamino)nonan-1-ol is OCCCCCCCCCNCCCCCCCCCO.
What is the InChIKey of 9-(9-hydroxynonylamino)nonan-1-ol?
The InChIKey is RCQAGVDHNPJTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39NO2/c20-17-13-9-5-1-3-7-11-15-19-16-12-8-4-2-6-10-14-18-21/h19-21H,1-18H2.
What are the key properties of 9-(9-hydroxynonylamino)nonan-1-ol?
9-(9-hydroxynonylamino)nonan-1-ol has a molecular weight of 301.52 g/mol, XLogP of 4.02, 18 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(9-hydroxynonylamino)nonan-1-ol is sourced from PubChem (CID 19798180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).