pentyl 9-(4-hydroxybutylamino)nonanoate

C18H37NO3 — CID 171836775

IUPACpentyl 9-(4-hydroxybutylamino)nonanoate
SMILESCCCCCOC(=O)CCCCCCCCNCCCCO
InChIInChI=1S/C18H37NO3/c1-2-3-12-17-22-18(21)13-8-6-4-5-7-9-14-19-15-10-11-16-20/h19-20H,2-17H2,1H3
InChIKeyAOFMBOHWUPRCGZ-UHFFFAOYSA-N
MW315.50 g/mol
LogP3.81
Rot. Bonds17

About pentyl 9-(4-hydroxybutylamino)nonanoate

pentyl 9-(4-hydroxybutylamino)nonanoate (PubChem CID 171836775) has the molecular formula C18H37NO3 and a molecular weight of 315.50 g/mol. Its IUPAC name is pentyl 9-(4-hydroxybutylamino)nonanoate.

Molecular Properties

Compound Namepentyl 9-(4-hydroxybutylamino)nonanoate
PubChem CID171836775
Molecular FormulaC18H37NO3
Molecular Weight315.50 g/mol
Exact Mass315.28
IUPAC Namepentyl 9-(4-hydroxybutylamino)nonanoate
SMILESCCCCCOC(=O)CCCCCCCCNCCCCO
InChIInChI=1S/C18H37NO3/c1-2-3-12-17-22-18(21)13-8-6-4-5-7-9-14-19-15-10-11-16-20/h19-20H,2-17H2,1H3
InChIKeyAOFMBOHWUPRCGZ-UHFFFAOYSA-N
XLogP3.81
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.50
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze pentyl 9-(4-hydroxybutylamino)nonanoate with MolForge

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

Launch Full Analysis

Related Compounds

undecyl 6-(3-hydroxypropylamino)hexanoate
CID 164552790
pentyl 9-(3-hydroxypropylamino)nonanoate
CID 171836826
nonyl 10-(3-hydroxypropylamino)decanoate
CID 164552702
heptyl 6-(2-hydroxyethylamino)hexanoate
CID 129286369
nonyl 8-(2-hydroxyethylamino)octanoate
CID 126697653
nonyl 9-(2-hydroxyethylamino)nonanoate
CID 164552720
dodecyl tridecanoate;N-octyloctan-1-amine
CID 88604290
nonyl 4-(nonylamino)butanoate
CID 142432007
12-hydroxydodecyl dodecanoate
CID 23320424
31-hydroxyhentriacontyl dodecanoate
CID 166097629
6-hydroxyhexyl octanoate
CID 23036666
12-hydroxydodecyl icosanoate
CID 170849788

Frequently Asked Questions

What is the IUPAC name of pentyl 9-(4-hydroxybutylamino)nonanoate?
The IUPAC name of pentyl 9-(4-hydroxybutylamino)nonanoate (CID 171836775) is pentyl 9-(4-hydroxybutylamino)nonanoate.
What is the SMILES notation for pentyl 9-(4-hydroxybutylamino)nonanoate?
The canonical SMILES for pentyl 9-(4-hydroxybutylamino)nonanoate is CCCCCOC(=O)CCCCCCCCNCCCCO.
What is the InChIKey of pentyl 9-(4-hydroxybutylamino)nonanoate?
The InChIKey is AOFMBOHWUPRCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO3/c1-2-3-12-17-22-18(21)13-8-6-4-5-7-9-14-19-15-10-11-16-20/h19-20H,2-17H2,1H3.
What are the key properties of pentyl 9-(4-hydroxybutylamino)nonanoate?
pentyl 9-(4-hydroxybutylamino)nonanoate has a molecular weight of 315.50 g/mol, XLogP of 3.81, 17 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pentyl 9-(4-hydroxybutylamino)nonanoate is sourced from PubChem (CID 171836775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).