undecyl 6-(3-hydroxypropylamino)hexanoate

C20H41NO3 — CID 164552790

IUPACundecyl 6-(3-hydroxypropylamino)hexanoate
SMILESCCCCCCCCCCCOC(=O)CCCCCNCCCO
InChIInChI=1S/C20H41NO3/c1-2-3-4-5-6-7-8-9-13-19-24-20(23)15-11-10-12-16-21-17-14-18-22/h21-22H,2-19H2,1H3
InChIKeyZAZPLBDVLKHFCM-UHFFFAOYSA-N
MW343.55 g/mol
LogP4.59
Rot. Bonds19

About undecyl 6-(3-hydroxypropylamino)hexanoate

undecyl 6-(3-hydroxypropylamino)hexanoate (PubChem CID 164552790) has the molecular formula C20H41NO3 and a molecular weight of 343.55 g/mol. Its IUPAC name is undecyl 6-(3-hydroxypropylamino)hexanoate.

Molecular Properties

Compound Nameundecyl 6-(3-hydroxypropylamino)hexanoate
PubChem CID164552790
Molecular FormulaC20H41NO3
Molecular Weight343.55 g/mol
Exact Mass343.31
IUPAC Nameundecyl 6-(3-hydroxypropylamino)hexanoate
SMILESCCCCCCCCCCCOC(=O)CCCCCNCCCO
InChIInChI=1S/C20H41NO3/c1-2-3-4-5-6-7-8-9-13-19-24-20(23)15-11-10-12-16-21-17-14-18-22/h21-22H,2-19H2,1H3
InChIKeyZAZPLBDVLKHFCM-UHFFFAOYSA-N
XLogP4.59
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.55
LogP ≤ 54.59
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

pentyl 9-(3-hydroxypropylamino)nonanoate
CID 171836826
nonyl 10-(3-hydroxypropylamino)decanoate
CID 164552702
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 undecyl 6-(3-hydroxypropylamino)hexanoate?
The IUPAC name of undecyl 6-(3-hydroxypropylamino)hexanoate (CID 164552790) is undecyl 6-(3-hydroxypropylamino)hexanoate.
What is the SMILES notation for undecyl 6-(3-hydroxypropylamino)hexanoate?
The canonical SMILES for undecyl 6-(3-hydroxypropylamino)hexanoate is CCCCCCCCCCCOC(=O)CCCCCNCCCO.
What is the InChIKey of undecyl 6-(3-hydroxypropylamino)hexanoate?
The InChIKey is ZAZPLBDVLKHFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41NO3/c1-2-3-4-5-6-7-8-9-13-19-24-20(23)15-11-10-12-16-21-17-14-18-22/h21-22H,2-19H2,1H3.
What are the key properties of undecyl 6-(3-hydroxypropylamino)hexanoate?
undecyl 6-(3-hydroxypropylamino)hexanoate has a molecular weight of 343.55 g/mol, XLogP of 4.59, 19 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for undecyl 6-(3-hydroxypropylamino)hexanoate is sourced from PubChem (CID 164552790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).