5-[3-(4-propylheptyl)morpholin-4-yl]pentan-1-ol

C19H39NO2 — CID 14721997

IUPAC5-[3-(4-propylheptyl)morpholin-4-yl]pentan-1-ol
SMILESCCCC(CCC)CCCC1COCCN1CCCCCO
InChIInChI=1S/C19H39NO2/c1-3-9-18(10-4-2)11-8-12-19-17-22-16-14-20(19)13-6-5-7-15-21/h18-19,21H,3-17H2,1-2H3
InChIKeyVSLKYMNGYPIOSP-UHFFFAOYSA-N
MW313.53 g/mol
LogP4.24
Rot. Bonds13

About 5-[3-(4-propylheptyl)morpholin-4-yl]pentan-1-ol

5-[3-(4-propylheptyl)morpholin-4-yl]pentan-1-ol (PubChem CID 14721997) has the molecular formula C19H39NO2 and a molecular weight of 313.53 g/mol. Its IUPAC name is 5-[3-(4-propylheptyl)morpholin-4-yl]pentan-1-ol.

Molecular Properties

Compound Name5-[3-(4-propylheptyl)morpholin-4-yl]pentan-1-ol
PubChem CID14721997
Molecular FormulaC19H39NO2
Molecular Weight313.53 g/mol
Exact Mass313.30
IUPAC Name5-[3-(4-propylheptyl)morpholin-4-yl]pentan-1-ol
SMILESCCCC(CCC)CCCC1COCCN1CCCCCO
InChIInChI=1S/C19H39NO2/c1-3-9-18(10-4-2)11-8-12-19-17-22-16-14-20(19)13-6-5-7-15-21/h18-19,21H,3-17H2,1-2H3
InChIKeyVSLKYMNGYPIOSP-UHFFFAOYSA-N
XLogP4.24
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.53
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-[3-(4-propylheptyl)morpholin-4-yl]pentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-propylheptyl)morpholin-4-yl]pentan-1-ol?
The IUPAC name of 5-[3-(4-propylheptyl)morpholin-4-yl]pentan-1-ol (CID 14721997) is 5-[3-(4-propylheptyl)morpholin-4-yl]pentan-1-ol.
What is the SMILES notation for 5-[3-(4-propylheptyl)morpholin-4-yl]pentan-1-ol?
The canonical SMILES for 5-[3-(4-propylheptyl)morpholin-4-yl]pentan-1-ol is CCCC(CCC)CCCC1COCCN1CCCCCO.
What is the InChIKey of 5-[3-(4-propylheptyl)morpholin-4-yl]pentan-1-ol?
The InChIKey is VSLKYMNGYPIOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39NO2/c1-3-9-18(10-4-2)11-8-12-19-17-22-16-14-20(19)13-6-5-7-15-21/h18-19,21H,3-17H2,1-2H3.
What are the key properties of 5-[3-(4-propylheptyl)morpholin-4-yl]pentan-1-ol?
5-[3-(4-propylheptyl)morpholin-4-yl]pentan-1-ol has a molecular weight of 313.53 g/mol, XLogP of 4.24, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-propylheptyl)morpholin-4-yl]pentan-1-ol is sourced from PubChem (CID 14721997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).