7-(diethylamino)decyl 2-methylprop-2-enoate

C18H35NO2 — CID 102118085

IUPAC7-(diethylamino)decyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCC(CCC)N(CC)CC
InChIInChI=1S/C18H35NO2/c1-6-13-17(19(7-2)8-3)14-11-9-10-12-15-21-18(20)16(4)5/h17H,4,6-15H2,1-3,5H3
InChIKeyPPBCDSUTTSKBLI-UHFFFAOYSA-N
MW297.48 g/mol
LogP4.57
Rot. Bonds13

About 7-(diethylamino)decyl 2-methylprop-2-enoate

7-(diethylamino)decyl 2-methylprop-2-enoate (PubChem CID 102118085) has the molecular formula C18H35NO2 and a molecular weight of 297.48 g/mol. Its IUPAC name is 7-(diethylamino)decyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name7-(diethylamino)decyl 2-methylprop-2-enoate
PubChem CID102118085
Molecular FormulaC18H35NO2
Molecular Weight297.48 g/mol
Exact Mass297.27
IUPAC Name7-(diethylamino)decyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCC(CCC)N(CC)CC
InChIInChI=1S/C18H35NO2/c1-6-13-17(19(7-2)8-3)14-11-9-10-12-15-21-18(20)16(4)5/h17H,4,6-15H2,1-3,5H3
InChIKeyPPBCDSUTTSKBLI-UHFFFAOYSA-N
XLogP4.57
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.48
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

6-(dipropylamino)decyl 2-methylprop-2-enoate
CID 102118110
4-(dipropylamino)nonyl 2-methylprop-2-enoate
CID 102118100
8-(dipropylamino)nonyl 2-methylprop-2-enoate
CID 102118104
8-propyltetradecyl 2-methylprop-2-enoate
CID 156690480
octatetracontyl 2-methylprop-2-enoate
CID 141233444
decyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate;heptadecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;nonadecyl 2-methylprop-2-enoate;nonyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate;undecyl 2-methylprop-2-enoate
CID 161498189
decyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate;undecyl 2-methylprop-2-enoate
CID 164995054
dodecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;icosyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate
CID 170851547
5-ethyloctadecyl 2-methylprop-2-enoate
CID 87137443
methane;nonyl 2-methylprop-2-enoate
CID 174847930
methane;tridecyl 2-methylprop-2-enoate
CID 174863529
butyl 2-methylprop-2-enoate;hexyl 2-methylprop-2-enoate
CID 19882000

Frequently Asked Questions

What is the IUPAC name of 7-(diethylamino)decyl 2-methylprop-2-enoate?
The IUPAC name of 7-(diethylamino)decyl 2-methylprop-2-enoate (CID 102118085) is 7-(diethylamino)decyl 2-methylprop-2-enoate.
What is the SMILES notation for 7-(diethylamino)decyl 2-methylprop-2-enoate?
The canonical SMILES for 7-(diethylamino)decyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCCCCC(CCC)N(CC)CC.
What is the InChIKey of 7-(diethylamino)decyl 2-methylprop-2-enoate?
The InChIKey is PPBCDSUTTSKBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO2/c1-6-13-17(19(7-2)8-3)14-11-9-10-12-15-21-18(20)16(4)5/h17H,4,6-15H2,1-3,5H3.
What are the key properties of 7-(diethylamino)decyl 2-methylprop-2-enoate?
7-(diethylamino)decyl 2-methylprop-2-enoate has a molecular weight of 297.48 g/mol, XLogP of 4.57, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(diethylamino)decyl 2-methylprop-2-enoate is sourced from PubChem (CID 102118085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).