1-(dimethylamino)dodecyl 2-methylprop-2-enoate

C18H35NO2 — CID 19020929

IUPAC1-(dimethylamino)dodecyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(CCCCCCCCCCC)N(C)C
InChIInChI=1S/C18H35NO2/c1-6-7-8-9-10-11-12-13-14-15-17(19(4)5)21-18(20)16(2)3/h17H,2,6-15H2,1,3-5H3
InChIKeyLKYNSEHYCYDWNP-UHFFFAOYSA-N
MW297.48 g/mol
LogP4.91
Rot. Bonds13

About 1-(dimethylamino)dodecyl 2-methylprop-2-enoate

1-(dimethylamino)dodecyl 2-methylprop-2-enoate (PubChem CID 19020929) has the molecular formula C18H35NO2 and a molecular weight of 297.48 g/mol. Its IUPAC name is 1-(dimethylamino)dodecyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name1-(dimethylamino)dodecyl 2-methylprop-2-enoate
PubChem CID19020929
Molecular FormulaC18H35NO2
Molecular Weight297.48 g/mol
Exact Mass297.27
IUPAC Name1-(dimethylamino)dodecyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(CCCCCCCCCCC)N(C)C
InChIInChI=1S/C18H35NO2/c1-6-7-8-9-10-11-12-13-14-15-17(19(4)5)21-18(20)16(2)3/h17H,2,6-15H2,1,3-5H3
InChIKeyLKYNSEHYCYDWNP-UHFFFAOYSA-N
XLogP4.91
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 ≤ 54.91
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'}

Analyze 1-(dimethylamino)dodecyl 2-methylprop-2-enoate 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

1-(diethylamino)octadecyl 2-methylprop-2-enoate
CID 57223262
1-(dioctylamino)hexyl 2-methylprop-2-enoate
CID 88745417
pentacosan-13-yl 2-methylprop-2-enoate
CID 54141631
undecan-5-yl 2-methylprop-2-enoate
CID 87158130
tridecan-5-yl 2-methylprop-2-enoate
CID 164546460
1-hydroxydocosyl 2-methylprop-2-enoate
CID 140734527
1-(dimethylamino)decyl prop-2-enoate
CID 88815695
decan-4-yl 2-methylprop-2-enoate
CID 22149421
1-sulfanyltetradecyl 2-methylprop-2-enoate
CID 175209122
hexadecan-4-yl 2-methylprop-2-enoate
CID 172709828
1-(dihexylamino)propyl 2-methylprop-2-enoate
CID 140511687
2-(2-methylprop-2-enoyloxy)decyl 2-methylprop-2-enoate
CID 87149420

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)dodecyl 2-methylprop-2-enoate?
The IUPAC name of 1-(dimethylamino)dodecyl 2-methylprop-2-enoate (CID 19020929) is 1-(dimethylamino)dodecyl 2-methylprop-2-enoate.
What is the SMILES notation for 1-(dimethylamino)dodecyl 2-methylprop-2-enoate?
The canonical SMILES for 1-(dimethylamino)dodecyl 2-methylprop-2-enoate is C=C(C)C(=O)OC(CCCCCCCCCCC)N(C)C.
What is the InChIKey of 1-(dimethylamino)dodecyl 2-methylprop-2-enoate?
The InChIKey is LKYNSEHYCYDWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO2/c1-6-7-8-9-10-11-12-13-14-15-17(19(4)5)21-18(20)16(2)3/h17H,2,6-15H2,1,3-5H3.
What are the key properties of 1-(dimethylamino)dodecyl 2-methylprop-2-enoate?
1-(dimethylamino)dodecyl 2-methylprop-2-enoate has a molecular weight of 297.48 g/mol, XLogP of 4.91, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)dodecyl 2-methylprop-2-enoate is sourced from PubChem (CID 19020929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).