1-(dimethylamino)decyl prop-2-enoate

C15H29NO2 — CID 88815695

IUPAC1-(dimethylamino)decyl prop-2-enoate
SMILESC=CC(=O)OC(CCCCCCCCC)N(C)C
InChIInChI=1S/C15H29NO2/c1-5-7-8-9-10-11-12-13-14(16(3)4)18-15(17)6-2/h6,14H,2,5,7-13H2,1,3-4H3
InChIKeyIBLQVICOMIFZJA-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.74
Rot. Bonds11

About 1-(dimethylamino)decyl prop-2-enoate

1-(dimethylamino)decyl prop-2-enoate (PubChem CID 88815695) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 1-(dimethylamino)decyl prop-2-enoate.

Molecular Properties

Compound Name1-(dimethylamino)decyl prop-2-enoate
PubChem CID88815695
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name1-(dimethylamino)decyl prop-2-enoate
SMILESC=CC(=O)OC(CCCCCCCCC)N(C)C
InChIInChI=1S/C15H29NO2/c1-5-7-8-9-10-11-12-13-14(16(3)4)18-15(17)6-2/h6,14H,2,5,7-13H2,1,3-4H3
InChIKeyIBLQVICOMIFZJA-UHFFFAOYSA-N
XLogP3.74
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-iodotridecyl prop-2-enoate
CID 90218413
heptadecan-8-yl prop-2-enoate
CID 121420657
1-prop-2-enoyloxyheptyl prop-2-enoate
CID 54470865
octadecan-6-yl prop-2-enoate
CID 91523695
1-prop-2-enoyloxydocosyl prop-2-enoate
CID 168863323
tridecan-5-yl prop-2-enoate
CID 141073146
1-hydroxyoctyl prop-2-enoate
CID 22340227
1-(dimethylamino)propyl prop-2-enoate;hydrofluoride
CID 173036316
1-(dimethylamino)dodecyl 2-methylprop-2-enoate
CID 19020929
pentadecan-4-yl prop-2-enoate
CID 543287
dodecan-3-yl prop-2-enoate
CID 543279
2-(dimethylamino)octyl prop-2-enoate
CID 86745027

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)decyl prop-2-enoate?
The IUPAC name of 1-(dimethylamino)decyl prop-2-enoate (CID 88815695) is 1-(dimethylamino)decyl prop-2-enoate.
What is the SMILES notation for 1-(dimethylamino)decyl prop-2-enoate?
The canonical SMILES for 1-(dimethylamino)decyl prop-2-enoate is C=CC(=O)OC(CCCCCCCCC)N(C)C.
What is the InChIKey of 1-(dimethylamino)decyl prop-2-enoate?
The InChIKey is IBLQVICOMIFZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-5-7-8-9-10-11-12-13-14(16(3)4)18-15(17)6-2/h6,14H,2,5,7-13H2,1,3-4H3.
What are the key properties of 1-(dimethylamino)decyl prop-2-enoate?
1-(dimethylamino)decyl prop-2-enoate has a molecular weight of 255.40 g/mol, XLogP of 3.74, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)decyl prop-2-enoate is sourced from PubChem (CID 88815695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).