heptyl 3-(ethylamino)propanoate

C12H25NO2 — CID 62328311

IUPACheptyl 3-(ethylamino)propanoate
SMILESCCCCCCCOC(=O)CCNCC
InChIInChI=1S/C12H25NO2/c1-3-5-6-7-8-11-15-12(14)9-10-13-4-2/h13H,3-11H2,1-2H3
InChIKeyOWLOXNNXCVWMNR-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.50
Rot. Bonds10

About heptyl 3-(ethylamino)propanoate

heptyl 3-(ethylamino)propanoate (PubChem CID 62328311) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is heptyl 3-(ethylamino)propanoate.

Molecular Properties

Compound Nameheptyl 3-(ethylamino)propanoate
PubChem CID62328311
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Nameheptyl 3-(ethylamino)propanoate
SMILESCCCCCCCOC(=O)CCNCC
InChIInChI=1S/C12H25NO2/c1-3-5-6-7-8-11-15-12(14)9-10-13-4-2/h13H,3-11H2,1-2H3
InChIKeyOWLOXNNXCVWMNR-UHFFFAOYSA-N
XLogP2.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(ethylamino)propyl octadecanoate
CID 157471077
2-(ethylamino)ethyl tetradecanoate
CID 22321443
hexyl 3-(tert-butylamino)propanoate
CID 61301914
dihexadecyl butanedioate
CID 3572854
1-O-octyl 4-O-undecyl butanedioate
CID 91702141
1-O-dodecyl 4-O-octadecyl butanedioate
CID 151076861
dodecyl tridecanoate;N-octyloctan-1-amine
CID 88604290
nonyl 4-(nonylamino)butanoate
CID 142432007
3-methoxypropyl 3-(ethylamino)propanoate
CID 62327444
10-O-octyl 1-O-pentyl decanedioate
CID 91729267
nonyl hexanoate
CID 576021
hexadecyl hexadecanoate;hexadecyl tetradecanoate;octadecyl tetradecanoate;tetradecyl hexadecanoate;tetradecyl tetradecanoate
CID 173164722

Frequently Asked Questions

What is the IUPAC name of heptyl 3-(ethylamino)propanoate?
The IUPAC name of heptyl 3-(ethylamino)propanoate (CID 62328311) is heptyl 3-(ethylamino)propanoate.
What is the SMILES notation for heptyl 3-(ethylamino)propanoate?
The canonical SMILES for heptyl 3-(ethylamino)propanoate is CCCCCCCOC(=O)CCNCC.
What is the InChIKey of heptyl 3-(ethylamino)propanoate?
The InChIKey is OWLOXNNXCVWMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-3-5-6-7-8-11-15-12(14)9-10-13-4-2/h13H,3-11H2,1-2H3.
What are the key properties of heptyl 3-(ethylamino)propanoate?
heptyl 3-(ethylamino)propanoate has a molecular weight of 215.34 g/mol, XLogP of 2.50, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for heptyl 3-(ethylamino)propanoate is sourced from PubChem (CID 62328311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).