6-(dimethylamino)hexyl dec-2-enoate

C18H35NO2 — CID 123602325

IUPAC6-(dimethylamino)hexyl dec-2-enoate
SMILESCCCCCCCC=CC(=O)OCCCCCCN(C)C
InChIInChI=1S/C18H35NO2/c1-4-5-6-7-8-9-12-15-18(20)21-17-14-11-10-13-16-19(2)3/h12,15H,4-11,13-14,16-17H2,1-3H3
InChIKeyUEKNIBZOWSCQMT-UHFFFAOYSA-N
MW297.48 g/mol
LogP4.57
Rot. Bonds14

About 6-(dimethylamino)hexyl dec-2-enoate

6-(dimethylamino)hexyl dec-2-enoate (PubChem CID 123602325) has the molecular formula C18H35NO2 and a molecular weight of 297.48 g/mol. Its IUPAC name is 6-(dimethylamino)hexyl dec-2-enoate.

Molecular Properties

Compound Name6-(dimethylamino)hexyl dec-2-enoate
PubChem CID123602325
Molecular FormulaC18H35NO2
Molecular Weight297.48 g/mol
Exact Mass297.27
IUPAC Name6-(dimethylamino)hexyl dec-2-enoate
SMILESCCCCCCCC=CC(=O)OCCCCCCN(C)C
InChIInChI=1S/C18H35NO2/c1-4-5-6-7-8-9-12-15-18(20)21-17-14-11-10-13-16-19(2)3/h12,15H,4-11,13-14,16-17H2,1-3H3
InChIKeyUEKNIBZOWSCQMT-UHFFFAOYSA-N
XLogP4.57
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
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

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CID 57331713
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CID 57331714
CID 57331714
CID 58069931
CID 58069931
CID 58070037
CID 58070037
CID 58070096
CID 58070096
CID 58490294
CID 58490294
CID 58559577
CID 58559577
CID 76513243
CID 76513243
CID 76513256
CID 76513256

Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)hexyl dec-2-enoate?
The IUPAC name of 6-(dimethylamino)hexyl dec-2-enoate (CID 123602325) is 6-(dimethylamino)hexyl dec-2-enoate.
What is the SMILES notation for 6-(dimethylamino)hexyl dec-2-enoate?
The canonical SMILES for 6-(dimethylamino)hexyl dec-2-enoate is CCCCCCCC=CC(=O)OCCCCCCN(C)C.
What is the InChIKey of 6-(dimethylamino)hexyl dec-2-enoate?
The InChIKey is UEKNIBZOWSCQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO2/c1-4-5-6-7-8-9-12-15-18(20)21-17-14-11-10-13-16-19(2)3/h12,15H,4-11,13-14,16-17H2,1-3H3.
What are the key properties of 6-(dimethylamino)hexyl dec-2-enoate?
6-(dimethylamino)hexyl dec-2-enoate has a molecular weight of 297.48 g/mol, XLogP of 4.57, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)hexyl dec-2-enoate is sourced from PubChem (CID 123602325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).