3-(dimethylamino)propyl (E)-dec-2-enoate

C15H29NO2 — CID 57331680

IUPAC3-(dimethylamino)propyl (E)-dec-2-enoate
SMILESCCCCCCC/C=C/C(=O)OCCCN(C)C
InChIInChI=1S/C15H29NO2/c1-4-5-6-7-8-9-10-12-15(17)18-14-11-13-16(2)3/h10,12H,4-9,11,13-14H2,1-3H3/b12-10+
InChIKeyQADDIYJHBVALHF-ZRDIBKRKSA-N
MW255.40 g/mol
LogP3.40
Rot. Bonds11

About 3-(dimethylamino)propyl (E)-dec-2-enoate

3-(dimethylamino)propyl (E)-dec-2-enoate (PubChem CID 57331680) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 3-(dimethylamino)propyl (E)-dec-2-enoate.

Molecular Properties

Compound Name3-(dimethylamino)propyl (E)-dec-2-enoate
PubChem CID57331680
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name3-(dimethylamino)propyl (E)-dec-2-enoate
SMILESCCCCCCC/C=C/C(=O)OCCCN(C)C
InChIInChI=1S/C15H29NO2/c1-4-5-6-7-8-9-10-12-15(17)18-14-11-13-16(2)3/h10,12H,4-9,11,13-14H2,1-3H3/b12-10+
InChIKeyQADDIYJHBVALHF-ZRDIBKRKSA-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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Related Compounds

2-Hexenoylcholine
CID 22155829
2-Dimethylaminoethyl docosahexaenoate
CID 54390294
2-(dimethylamino)ethyl (2E,4E,6E,8E,10E,12E)-docosa-2,4,6,8,10,12-hexaenoate
CID 22123402
2-Hex-2-enoyloxyethyl(trimethyl)azanium
CID 53794420
2-Docosa-2,4,6,8,10,12-hexaenoyloxyethyl(trimethyl)azanium
CID 54299321
(E)-2-(dimethylamino)ethyl dec-2-enoate
CID 56963173
(E)-2-(diethylamino)ethyl dec-2-enoate
CID 57331679
(E)-1-(dimethylamino)propan-2-yl dec-2-enoate
CID 57331681
(E)-4-(dimethylamino)butyl dec-2-enoate
CID 57331713
(E)-3-(dimethylamino)-2,2-dimethylpropyl dec-2-enoate
CID 57331714
(E)-2-(2-(dimethylamino)ethoxy)ethyl dec-2-enoate
CID 57331718
Methyl 6-(dimethylamino)hex-2-enoate
CID 58965252

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)propyl (E)-dec-2-enoate?
The IUPAC name of 3-(dimethylamino)propyl (E)-dec-2-enoate (CID 57331680) is 3-(dimethylamino)propyl (E)-dec-2-enoate.
What is the SMILES notation for 3-(dimethylamino)propyl (E)-dec-2-enoate?
The canonical SMILES for 3-(dimethylamino)propyl (E)-dec-2-enoate is CCCCCCC/C=C/C(=O)OCCCN(C)C.
What is the InChIKey of 3-(dimethylamino)propyl (E)-dec-2-enoate?
The InChIKey is QADDIYJHBVALHF-ZRDIBKRKSA-N. The full InChI is InChI=1S/C15H29NO2/c1-4-5-6-7-8-9-10-12-15(17)18-14-11-13-16(2)3/h10,12H,4-9,11,13-14H2,1-3H3/b12-10+.
What are the key properties of 3-(dimethylamino)propyl (E)-dec-2-enoate?
3-(dimethylamino)propyl (E)-dec-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 3-(dimethylamino)propyl (E)-dec-2-enoate is sourced from PubChem (CID 57331680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).