nonyl 10-(3-hydroxypropylamino)decanoate

C22H45NO3 — CID 164552702

IUPACnonyl 10-(3-hydroxypropylamino)decanoate
SMILESCCCCCCCCCOC(=O)CCCCCCCCCNCCCO
InChIInChI=1S/C22H45NO3/c1-2-3-4-5-9-12-15-21-26-22(25)17-13-10-7-6-8-11-14-18-23-19-16-20-24/h23-24H,2-21H2,1H3
InChIKeyOSJDVOSDKHMKHF-UHFFFAOYSA-N
MW371.61 g/mol
LogP5.37
Rot. Bonds21

About nonyl 10-(3-hydroxypropylamino)decanoate

nonyl 10-(3-hydroxypropylamino)decanoate (PubChem CID 164552702) has the molecular formula C22H45NO3 and a molecular weight of 371.61 g/mol. Its IUPAC name is nonyl 10-(3-hydroxypropylamino)decanoate.

Molecular Properties

Compound Namenonyl 10-(3-hydroxypropylamino)decanoate
PubChem CID164552702
Molecular FormulaC22H45NO3
Molecular Weight371.61 g/mol
Exact Mass371.34
IUPAC Namenonyl 10-(3-hydroxypropylamino)decanoate
SMILESCCCCCCCCCOC(=O)CCCCCCCCCNCCCO
InChIInChI=1S/C22H45NO3/c1-2-3-4-5-9-12-15-21-26-22(25)17-13-10-7-6-8-11-14-18-23-19-16-20-24/h23-24H,2-21H2,1H3
InChIKeyOSJDVOSDKHMKHF-UHFFFAOYSA-N
XLogP5.37
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds21
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.61
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

undecyl 6-(3-hydroxypropylamino)hexanoate
CID 164552790
pentyl 9-(3-hydroxypropylamino)nonanoate
CID 171836826
pentyl 9-(4-hydroxybutylamino)nonanoate
CID 171836775
nonyl 8-(2-hydroxyethylamino)octanoate
CID 126697653
heptyl 6-(2-hydroxyethylamino)hexanoate
CID 129286369
nonyl 9-(2-hydroxyethylamino)nonanoate
CID 164552720
dodecyl tridecanoate;N-octyloctan-1-amine
CID 88604290
nonyl 4-(nonylamino)butanoate
CID 142432007
8-[(8-nonoxy-8-oxooctyl)amino]octanoic acid
CID 151935733
dodecyl 6-(5-aminopentylamino)hexanoate
CID 58105631
12-hydroxydodecyl dodecanoate
CID 23320424
31-hydroxyhentriacontyl dodecanoate
CID 166097629

Frequently Asked Questions

What is the IUPAC name of nonyl 10-(3-hydroxypropylamino)decanoate?
The IUPAC name of nonyl 10-(3-hydroxypropylamino)decanoate (CID 164552702) is nonyl 10-(3-hydroxypropylamino)decanoate.
What is the SMILES notation for nonyl 10-(3-hydroxypropylamino)decanoate?
The canonical SMILES for nonyl 10-(3-hydroxypropylamino)decanoate is CCCCCCCCCOC(=O)CCCCCCCCCNCCCO.
What is the InChIKey of nonyl 10-(3-hydroxypropylamino)decanoate?
The InChIKey is OSJDVOSDKHMKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H45NO3/c1-2-3-4-5-9-12-15-21-26-22(25)17-13-10-7-6-8-11-14-18-23-19-16-20-24/h23-24H,2-21H2,1H3.
What are the key properties of nonyl 10-(3-hydroxypropylamino)decanoate?
nonyl 10-(3-hydroxypropylamino)decanoate has a molecular weight of 371.61 g/mol, XLogP of 5.37, 21 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for nonyl 10-(3-hydroxypropylamino)decanoate is sourced from PubChem (CID 164552702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).