heptyl 6-(2-hydroxyethylamino)hexanoate

C15H31NO3 — CID 129286369

IUPACheptyl 6-(2-hydroxyethylamino)hexanoate
SMILESCCCCCCCOC(=O)CCCCCNCCO
InChIInChI=1S/C15H31NO3/c1-2-3-4-5-9-14-19-15(18)10-7-6-8-11-16-12-13-17/h16-17H,2-14H2,1H3
InChIKeyOASDIQLWUYCOBD-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.64
Rot. Bonds14

About heptyl 6-(2-hydroxyethylamino)hexanoate

heptyl 6-(2-hydroxyethylamino)hexanoate (PubChem CID 129286369) has the molecular formula C15H31NO3 and a molecular weight of 273.42 g/mol. Its IUPAC name is heptyl 6-(2-hydroxyethylamino)hexanoate.

Molecular Properties

Compound Nameheptyl 6-(2-hydroxyethylamino)hexanoate
PubChem CID129286369
Molecular FormulaC15H31NO3
Molecular Weight273.42 g/mol
Exact Mass273.23
IUPAC Nameheptyl 6-(2-hydroxyethylamino)hexanoate
SMILESCCCCCCCOC(=O)CCCCCNCCO
InChIInChI=1S/C15H31NO3/c1-2-3-4-5-9-14-19-15(18)10-7-6-8-11-16-12-13-17/h16-17H,2-14H2,1H3
InChIKeyOASDIQLWUYCOBD-UHFFFAOYSA-N
XLogP2.64
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.64
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

nonyl 8-(2-hydroxyethylamino)octanoate
CID 126697653
nonyl 9-(2-hydroxyethylamino)nonanoate
CID 164552720
undecyl 6-(3-hydroxypropylamino)hexanoate
CID 164552790
pentyl 9-(3-hydroxypropylamino)nonanoate
CID 171836826
nonyl 10-(3-hydroxypropylamino)decanoate
CID 164552702
pentyl 9-(4-hydroxybutylamino)nonanoate
CID 171836775
dodecyl tridecanoate;N-octyloctan-1-amine
CID 88604290
nonyl 4-(nonylamino)butanoate
CID 142432007
dodecyl 6-(5-aminopentylamino)hexanoate
CID 58105631
8-[(8-nonoxy-8-oxooctyl)amino]octanoic acid
CID 151935733
heptyl 4-(6-aminohexylamino)butanoate
CID 175415497
12-hydroxydodecyl icosanoate
CID 170849788

Frequently Asked Questions

What is the IUPAC name of heptyl 6-(2-hydroxyethylamino)hexanoate?
The IUPAC name of heptyl 6-(2-hydroxyethylamino)hexanoate (CID 129286369) is heptyl 6-(2-hydroxyethylamino)hexanoate.
What is the SMILES notation for heptyl 6-(2-hydroxyethylamino)hexanoate?
The canonical SMILES for heptyl 6-(2-hydroxyethylamino)hexanoate is CCCCCCCOC(=O)CCCCCNCCO.
What is the InChIKey of heptyl 6-(2-hydroxyethylamino)hexanoate?
The InChIKey is OASDIQLWUYCOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO3/c1-2-3-4-5-9-14-19-15(18)10-7-6-8-11-16-12-13-17/h16-17H,2-14H2,1H3.
What are the key properties of heptyl 6-(2-hydroxyethylamino)hexanoate?
heptyl 6-(2-hydroxyethylamino)hexanoate has a molecular weight of 273.42 g/mol, XLogP of 2.64, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for heptyl 6-(2-hydroxyethylamino)hexanoate is sourced from PubChem (CID 129286369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).