methyl 10-[ethyl(methyl)amino]dec-9-enoate

C14H27NO2 — CID 90783602

IUPACmethyl 10-[ethyl(methyl)amino]dec-9-enoate
SMILESCCN(C)C=CCCCCCCCC(=O)OC
InChIInChI=1S/C14H27NO2/c1-4-15(2)13-11-9-7-5-6-8-10-12-14(16)17-3/h11,13H,4-10,12H2,1-3H3
InChIKeyKFXYRVRQIGMRFR-UHFFFAOYSA-N
MW241.37 g/mol
LogP3.36
Rot. Bonds10

About methyl 10-[ethyl(methyl)amino]dec-9-enoate

methyl 10-[ethyl(methyl)amino]dec-9-enoate (PubChem CID 90783602) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is methyl 10-[ethyl(methyl)amino]dec-9-enoate.

Molecular Properties

Compound Namemethyl 10-[ethyl(methyl)amino]dec-9-enoate
PubChem CID90783602
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Namemethyl 10-[ethyl(methyl)amino]dec-9-enoate
SMILESCCN(C)C=CCCCCCCCC(=O)OC
InChIInChI=1S/C14H27NO2/c1-4-15(2)13-11-9-7-5-6-8-10-12-14(16)17-3/h11,13H,4-10,12H2,1-3H3
InChIKeyKFXYRVRQIGMRFR-UHFFFAOYSA-N
XLogP3.36
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

dimethyl (E)-triacont-15-enedioate
CID 10767955
dimethyl (11E,13E,15E,17E,19E,21E)-dotriaconta-11,13,15,17,19,21-hexaenedioate
CID 12073776
methyl (Z)-dotriacont-15-enoate
CID 100966062
methyl octadec-7-enoate
CID 543314
methyl (Z)-octadec-12-enoate
CID 12963317
methyl (Z)-octadec-9-enoate
CID 5364509
methyl (E)-octadec-7-enoate
CID 5364440
methyl (Z)-octadec-15-enoate
CID 12963319
methyl (Z)-hexadec-12-enoate
CID 10978485
methyl (E)-octadec-12-enoate
CID 5364503
methyl (E)-hexadec-11-enoate
CID 5364696
methyl (9E,11E,13E)-octadeca-9,11,13-trienoate
CID 6433658

Frequently Asked Questions

What is the IUPAC name of methyl 10-[ethyl(methyl)amino]dec-9-enoate?
The IUPAC name of methyl 10-[ethyl(methyl)amino]dec-9-enoate (CID 90783602) is methyl 10-[ethyl(methyl)amino]dec-9-enoate.
What is the SMILES notation for methyl 10-[ethyl(methyl)amino]dec-9-enoate?
The canonical SMILES for methyl 10-[ethyl(methyl)amino]dec-9-enoate is CCN(C)C=CCCCCCCCC(=O)OC.
What is the InChIKey of methyl 10-[ethyl(methyl)amino]dec-9-enoate?
The InChIKey is KFXYRVRQIGMRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-4-15(2)13-11-9-7-5-6-8-10-12-14(16)17-3/h11,13H,4-10,12H2,1-3H3.
What are the key properties of methyl 10-[ethyl(methyl)amino]dec-9-enoate?
methyl 10-[ethyl(methyl)amino]dec-9-enoate has a molecular weight of 241.37 g/mol, XLogP of 3.36, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 10-[ethyl(methyl)amino]dec-9-enoate is sourced from PubChem (CID 90783602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).