(2E,4E)-5,9-dimethyl-N-(2-methylpropyl)deca-2,4,8-trienamide

C16H27NO — CID 44561470

IUPAC(2E,4E)-5,9-dimethyl-N-(2-methylpropyl)deca-2,4,8-trienamide
SMILESCC(C)=CCC/C(C)=C/C=C/C(=O)NCC(C)C
InChIInChI=1S/C16H27NO/c1-13(2)8-6-9-15(5)10-7-11-16(18)17-12-14(3)4/h7-8,10-11,14H,6,9,12H2,1-5H3,(H,17,18)/b11-7+,15-10+
InChIKeySGMSVLHOUINMKF-HTYBMYLDSA-N
MW249.40 g/mol
LogP4.01
Rot. Bonds7

About (2E,4E)-5,9-dimethyl-N-(2-methylpropyl)deca-2,4,8-trienamide

(2E,4E)-5,9-dimethyl-N-(2-methylpropyl)deca-2,4,8-trienamide (PubChem CID 44561470) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is (2E,4E)-5,9-dimethyl-N-(2-methylpropyl)deca-2,4,8-trienamide.

Molecular Properties

Compound Name(2E,4E)-5,9-dimethyl-N-(2-methylpropyl)deca-2,4,8-trienamide
PubChem CID44561470
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name(2E,4E)-5,9-dimethyl-N-(2-methylpropyl)deca-2,4,8-trienamide
SMILESCC(C)=CCC/C(C)=C/C=C/C(=O)NCC(C)C
InChIInChI=1S/C16H27NO/c1-13(2)8-6-9-15(5)10-7-11-16(18)17-12-14(3)4/h7-8,10-11,14H,6,9,12H2,1-5H3,(H,17,18)/b11-7+,15-10+
InChIKeySGMSVLHOUINMKF-HTYBMYLDSA-N
XLogP4.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-5,9-dimethyl-N-(2-methylpropyl)deca-2,4,8-trienamide?
The IUPAC name of (2E,4E)-5,9-dimethyl-N-(2-methylpropyl)deca-2,4,8-trienamide (CID 44561470) is (2E,4E)-5,9-dimethyl-N-(2-methylpropyl)deca-2,4,8-trienamide.
What is the SMILES notation for (2E,4E)-5,9-dimethyl-N-(2-methylpropyl)deca-2,4,8-trienamide?
The canonical SMILES for (2E,4E)-5,9-dimethyl-N-(2-methylpropyl)deca-2,4,8-trienamide is CC(C)=CCC/C(C)=C/C=C/C(=O)NCC(C)C.
What is the InChIKey of (2E,4E)-5,9-dimethyl-N-(2-methylpropyl)deca-2,4,8-trienamide?
The InChIKey is SGMSVLHOUINMKF-HTYBMYLDSA-N. The full InChI is InChI=1S/C16H27NO/c1-13(2)8-6-9-15(5)10-7-11-16(18)17-12-14(3)4/h7-8,10-11,14H,6,9,12H2,1-5H3,(H,17,18)/b11-7+,15-10+.
What are the key properties of (2E,4E)-5,9-dimethyl-N-(2-methylpropyl)deca-2,4,8-trienamide?
(2E,4E)-5,9-dimethyl-N-(2-methylpropyl)deca-2,4,8-trienamide has a molecular weight of 249.40 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5,9-dimethyl-N-(2-methylpropyl)deca-2,4,8-trienamide is sourced from PubChem (CID 44561470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).