ethyl 7-(dimethylamino)heptanoate

C11H23NO2 — CID 170069476

IUPACethyl 7-(dimethylamino)heptanoate
SMILESCCOC(=O)CCCCCCN(C)C
InChIInChI=1S/C11H23NO2/c1-4-14-11(13)9-7-5-6-8-10-12(2)3/h4-10H2,1-3H3
InChIKeyLRVQTYRMUWZVAP-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.06
Rot. Bonds8

About ethyl 7-(dimethylamino)heptanoate

ethyl 7-(dimethylamino)heptanoate (PubChem CID 170069476) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is ethyl 7-(dimethylamino)heptanoate.

Molecular Properties

Compound Nameethyl 7-(dimethylamino)heptanoate
PubChem CID170069476
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Nameethyl 7-(dimethylamino)heptanoate
SMILESCCOC(=O)CCCCCCN(C)C
InChIInChI=1S/C11H23NO2/c1-4-14-11(13)9-7-5-6-8-10-12(2)3/h4-10H2,1-3H3
InChIKeyLRVQTYRMUWZVAP-UHFFFAOYSA-N
XLogP2.06
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl 7-(dimethylamino)heptanoate 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

diethyl icosanedioate
CID 5058538
diethyl hexanedioate
CID 160747628
ethyl 5-[methyl(oxido)amino]pentanoate
CID 163754429
sodium;diethyl decanedioate;hydride
CID 173076435
ethyl tetradecanoate
CID 89052756
CID 87572227
CID 87572227
ethyl undecanoate
CID 12327
pentakis(ethyl octanoate);hexane
CID 173194775
ethyl decanoate;methanol
CID 161391102
23-ethoxy-23-oxotricosanoic acid
CID 67326593
21-ethoxy-21-oxohenicosanoic acid
CID 155487301
[4-(dimethylamino)butanoyl-(tetradecanoyloxymethyl)amino]methyl tetradecanoate
CID 138657786

Frequently Asked Questions

What is the IUPAC name of ethyl 7-(dimethylamino)heptanoate?
The IUPAC name of ethyl 7-(dimethylamino)heptanoate (CID 170069476) is ethyl 7-(dimethylamino)heptanoate.
What is the SMILES notation for ethyl 7-(dimethylamino)heptanoate?
The canonical SMILES for ethyl 7-(dimethylamino)heptanoate is CCOC(=O)CCCCCCN(C)C.
What is the InChIKey of ethyl 7-(dimethylamino)heptanoate?
The InChIKey is LRVQTYRMUWZVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-4-14-11(13)9-7-5-6-8-10-12(2)3/h4-10H2,1-3H3.
What are the key properties of ethyl 7-(dimethylamino)heptanoate?
ethyl 7-(dimethylamino)heptanoate has a molecular weight of 201.31 g/mol, XLogP of 2.06, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-(dimethylamino)heptanoate is sourced from PubChem (CID 170069476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).