(2E,6E)-N,N-diethyl-2,5,5,9-tetramethyldeca-2,6,8-trienamide

C18H31NO — CID 5371288

IUPAC(2E,6E)-N,N-diethyl-2,5,5,9-tetramethyldeca-2,6,8-trienamide
SMILESCCN(CC)C(=O)/C(C)=C/CC(C)(C)/C=C/C=C(C)C
InChIInChI=1S/C18H31NO/c1-8-19(9-2)17(20)16(5)12-14-18(6,7)13-10-11-15(3)4/h10-13H,8-9,14H2,1-7H3/b13-10+,16-12+
InChIKeyJVNUFFGMAJSBMQ-CZDZMETOSA-N
MW277.45 g/mol
LogP4.74
Rot. Bonds7

About (2E,6E)-N,N-diethyl-2,5,5,9-tetramethyldeca-2,6,8-trienamide

(2E,6E)-N,N-diethyl-2,5,5,9-tetramethyldeca-2,6,8-trienamide (PubChem CID 5371288) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is (2E,6E)-N,N-diethyl-2,5,5,9-tetramethyldeca-2,6,8-trienamide.

Molecular Properties

Compound Name(2E,6E)-N,N-diethyl-2,5,5,9-tetramethyldeca-2,6,8-trienamide
PubChem CID5371288
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name(2E,6E)-N,N-diethyl-2,5,5,9-tetramethyldeca-2,6,8-trienamide
SMILESCCN(CC)C(=O)/C(C)=C/CC(C)(C)/C=C/C=C(C)C
InChIInChI=1S/C18H31NO/c1-8-19(9-2)17(20)16(5)12-14-18(6,7)13-10-11-15(3)4/h10-13H,8-9,14H2,1-7H3/b13-10+,16-12+
InChIKeyJVNUFFGMAJSBMQ-CZDZMETOSA-N
XLogP4.74
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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,6E)-N,N-diethyl-2,5,5,9-tetramethyldeca-2,6,8-trienamide?
The IUPAC name of (2E,6E)-N,N-diethyl-2,5,5,9-tetramethyldeca-2,6,8-trienamide (CID 5371288) is (2E,6E)-N,N-diethyl-2,5,5,9-tetramethyldeca-2,6,8-trienamide.
What is the SMILES notation for (2E,6E)-N,N-diethyl-2,5,5,9-tetramethyldeca-2,6,8-trienamide?
The canonical SMILES for (2E,6E)-N,N-diethyl-2,5,5,9-tetramethyldeca-2,6,8-trienamide is CCN(CC)C(=O)/C(C)=C/CC(C)(C)/C=C/C=C(C)C.
What is the InChIKey of (2E,6E)-N,N-diethyl-2,5,5,9-tetramethyldeca-2,6,8-trienamide?
The InChIKey is JVNUFFGMAJSBMQ-CZDZMETOSA-N. The full InChI is InChI=1S/C18H31NO/c1-8-19(9-2)17(20)16(5)12-14-18(6,7)13-10-11-15(3)4/h10-13H,8-9,14H2,1-7H3/b13-10+,16-12+.
What are the key properties of (2E,6E)-N,N-diethyl-2,5,5,9-tetramethyldeca-2,6,8-trienamide?
(2E,6E)-N,N-diethyl-2,5,5,9-tetramethyldeca-2,6,8-trienamide has a molecular weight of 277.45 g/mol, XLogP of 4.74, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E)-N,N-diethyl-2,5,5,9-tetramethyldeca-2,6,8-trienamide is sourced from PubChem (CID 5371288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).