(2E,6E,8E)-N-propan-2-yldeca-2,6,8-trienamide

C13H21NO — CID 87311173

IUPAC(2E,6E,8E)-N-propan-2-yldeca-2,6,8-trienamide
SMILESC/C=C/C=C/CC/C=C/C(=O)NC(C)C
InChIInChI=1S/C13H21NO/c1-4-5-6-7-8-9-10-11-13(15)14-12(2)3/h4-7,10-12H,8-9H2,1-3H3,(H,14,15)/b5-4+,7-6+,11-10+
InChIKeyPJRULOCMIKXLNU-RXTMUMTRSA-N
MW207.32 g/mol
LogP2.98
Rot. Bonds6

About (2E,6E,8E)-N-propan-2-yldeca-2,6,8-trienamide

(2E,6E,8E)-N-propan-2-yldeca-2,6,8-trienamide (PubChem CID 87311173) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is (2E,6E,8E)-N-propan-2-yldeca-2,6,8-trienamide.

Molecular Properties

Compound Name(2E,6E,8E)-N-propan-2-yldeca-2,6,8-trienamide
PubChem CID87311173
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name(2E,6E,8E)-N-propan-2-yldeca-2,6,8-trienamide
SMILESC/C=C/C=C/CC/C=C/C(=O)NC(C)C
InChIInChI=1S/C13H21NO/c1-4-5-6-7-8-9-10-11-13(15)14-12(2)3/h4-7,10-12H,8-9H2,1-3H3,(H,14,15)/b5-4+,7-6+,11-10+
InChIKeyPJRULOCMIKXLNU-RXTMUMTRSA-N
XLogP2.98
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2E,7Z,9E)-N-(2-methylpropyl)undeca-2,7,9-trienamide
CID 10776149
6-iodo-N-propan-2-ylhex-2-enamide
CID 139665458
propane;(E)-N-propan-2-ylbut-2-enamide
CID 177014610
(2E,4E,8Z)-N-butan-2-yldeca-2,4,8-trienamide
CID 87311086
(2E,6Z,8E)-deca-2,6,8-trienamide
CID 87690311
(2E,4E,8Z,10E,12E)-N-(2-hydroxypropan-2-yl)tetradeca-2,4,8,10,12-pentaenamide
CID 5318129
methyl (2E,4E,8Z,10E,12E)-tetradeca-2,4,8,10,12-pentaenoate
CID 139599901
N-butan-2-ylhexa-2,4-dienamide
CID 76545623
hepta-1,3,5-triyne;hexa-1,3,5-triyne;(2E,6Z,8E)-N-(2-methylpropyl)deca-2,6,8-trienamide;(3E,7Z,9E)-undeca-3,7,9-trien-2-one
CID 160629339
N-(4-hydroxybutan-2-yl)hexa-2,4-dienamide
CID 115283586
N-(1-hydroxy-3-methylbutan-2-yl)hexa-2,4-dienamide
CID 79252380
(E)-6-[3-(dimethylamino)propanoylamino]-N-propan-2-ylhept-2-enamide
CID 126550702

Frequently Asked Questions

What is the IUPAC name of (2E,6E,8E)-N-propan-2-yldeca-2,6,8-trienamide?
The IUPAC name of (2E,6E,8E)-N-propan-2-yldeca-2,6,8-trienamide (CID 87311173) is (2E,6E,8E)-N-propan-2-yldeca-2,6,8-trienamide.
What is the SMILES notation for (2E,6E,8E)-N-propan-2-yldeca-2,6,8-trienamide?
The canonical SMILES for (2E,6E,8E)-N-propan-2-yldeca-2,6,8-trienamide is C/C=C/C=C/CC/C=C/C(=O)NC(C)C.
What is the InChIKey of (2E,6E,8E)-N-propan-2-yldeca-2,6,8-trienamide?
The InChIKey is PJRULOCMIKXLNU-RXTMUMTRSA-N. The full InChI is InChI=1S/C13H21NO/c1-4-5-6-7-8-9-10-11-13(15)14-12(2)3/h4-7,10-12H,8-9H2,1-3H3,(H,14,15)/b5-4+,7-6+,11-10+.
What are the key properties of (2E,6E,8E)-N-propan-2-yldeca-2,6,8-trienamide?
(2E,6E,8E)-N-propan-2-yldeca-2,6,8-trienamide has a molecular weight of 207.32 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E,8E)-N-propan-2-yldeca-2,6,8-trienamide is sourced from PubChem (CID 87311173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).