2-(dimethylamino)ethyl (E)-undec-2-enoate

C15H29NO2 — CID 59048824

IUPAC2-(dimethylamino)ethyl (E)-undec-2-enoate
SMILESCCCCCCCC/C=C/C(=O)OCCN(C)C
InChIInChI=1S/C15H29NO2/c1-4-5-6-7-8-9-10-11-12-15(17)18-14-13-16(2)3/h11-12H,4-10,13-14H2,1-3H3/b12-11+
InChIKeyKMTOKDPWCMZVIS-VAWYXSNFSA-N
MW255.40 g/mol
LogP3.40
Rot. Bonds11

About 2-(dimethylamino)ethyl (E)-undec-2-enoate

2-(dimethylamino)ethyl (E)-undec-2-enoate (PubChem CID 59048824) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl (E)-undec-2-enoate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl (E)-undec-2-enoate
PubChem CID59048824
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name2-(dimethylamino)ethyl (E)-undec-2-enoate
SMILESCCCCCCCC/C=C/C(=O)OCCN(C)C
InChIInChI=1S/C15H29NO2/c1-4-5-6-7-8-9-10-11-12-15(17)18-14-13-16(2)3/h11-12H,4-10,13-14H2,1-3H3/b12-11+
InChIKeyKMTOKDPWCMZVIS-VAWYXSNFSA-N
XLogP3.40
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 ≤ 53.40
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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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl (E)-undec-2-enoate?
The IUPAC name of 2-(dimethylamino)ethyl (E)-undec-2-enoate (CID 59048824) is 2-(dimethylamino)ethyl (E)-undec-2-enoate.
What is the SMILES notation for 2-(dimethylamino)ethyl (E)-undec-2-enoate?
The canonical SMILES for 2-(dimethylamino)ethyl (E)-undec-2-enoate is CCCCCCCC/C=C/C(=O)OCCN(C)C.
What is the InChIKey of 2-(dimethylamino)ethyl (E)-undec-2-enoate?
The InChIKey is KMTOKDPWCMZVIS-VAWYXSNFSA-N. The full InChI is InChI=1S/C15H29NO2/c1-4-5-6-7-8-9-10-11-12-15(17)18-14-13-16(2)3/h11-12H,4-10,13-14H2,1-3H3/b12-11+.
What are the key properties of 2-(dimethylamino)ethyl (E)-undec-2-enoate?
2-(dimethylamino)ethyl (E)-undec-2-enoate has a molecular weight of 255.40 g/mol, XLogP of 3.40, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl (E)-undec-2-enoate is sourced from PubChem (CID 59048824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).