(3E,6Z,8E)-N-(2-methylpropyl)deca-3,6,8-trienamide

C14H23NO — CID 58249820

IUPAC(3E,6Z,8E)-N-(2-methylpropyl)deca-3,6,8-trienamide
SMILESC/C=C/C=C\C/C=C/CC(=O)NCC(C)C
InChIInChI=1S/C14H23NO/c1-4-5-6-7-8-9-10-11-14(16)15-12-13(2)3/h4-7,9-10,13H,8,11-12H2,1-3H3,(H,15,16)/b5-4+,7-6-,10-9+
InChIKeyYUEBGFMWPOCSGD-WHDSBHAISA-N
MW221.34 g/mol
LogP3.23
Rot. Bonds7

About (3E,6Z,8E)-N-(2-methylpropyl)deca-3,6,8-trienamide

(3E,6Z,8E)-N-(2-methylpropyl)deca-3,6,8-trienamide (PubChem CID 58249820) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is (3E,6Z,8E)-N-(2-methylpropyl)deca-3,6,8-trienamide.

Molecular Properties

Compound Name(3E,6Z,8E)-N-(2-methylpropyl)deca-3,6,8-trienamide
PubChem CID58249820
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name(3E,6Z,8E)-N-(2-methylpropyl)deca-3,6,8-trienamide
SMILESC/C=C/C=C\C/C=C/CC(=O)NCC(C)C
InChIInChI=1S/C14H23NO/c1-4-5-6-7-8-9-10-11-14(16)15-12-13(2)3/h4-7,9-10,13H,8,11-12H2,1-3H3,(H,15,16)/b5-4+,7-6-,10-9+
InChIKeyYUEBGFMWPOCSGD-WHDSBHAISA-N
XLogP3.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4E)-1-(propan-2-ylamino)undeca-4,7,9-trien-2-one
CID 123280788
(2E,7Z,9E)-N-(2-methylpropyl)undeca-2,7,9-trienamide
CID 10776149
3-[[(E)-but-2-enyl]amino]-N-(2-methylpropyl)propanamide
CID 107899226
(3E,8Z,10E)-N-(2-methylpropyl)dodeca-1,3,8,10-tetraen-2-amine
CID 89203985
(2Z,4Z,7E)-deca-2,4,7-triene
CID 142167538
(E)-2-methyl-N-(2-methylpropyl)but-2-enamide
CID 57408889
2-(dimethylamino)-N-(2-methylpropyl)acetamide
CID 20735570
N-(2-methylpropyl)-N'-[2-oxo-2-(propan-2-ylamino)ethyl]decanediamide
CID 155445276
6-amino-N-(2-methylpropyl)hexanamide
CID 24696940
N-(2-methylpropyl)-4-(propan-2-ylamino)butanamide
CID 60850925
(2S)-2,4-bis(2-methylpropylamino)-4-oxobutanoic acid
CID 2211191
N-(2-methylpropyl)-6-pyridin-1-ium-1-ylhexanamide
CID 67882668

Frequently Asked Questions

What is the IUPAC name of (3E,6Z,8E)-N-(2-methylpropyl)deca-3,6,8-trienamide?
The IUPAC name of (3E,6Z,8E)-N-(2-methylpropyl)deca-3,6,8-trienamide (CID 58249820) is (3E,6Z,8E)-N-(2-methylpropyl)deca-3,6,8-trienamide.
What is the SMILES notation for (3E,6Z,8E)-N-(2-methylpropyl)deca-3,6,8-trienamide?
The canonical SMILES for (3E,6Z,8E)-N-(2-methylpropyl)deca-3,6,8-trienamide is C/C=C/C=C\C/C=C/CC(=O)NCC(C)C.
What is the InChIKey of (3E,6Z,8E)-N-(2-methylpropyl)deca-3,6,8-trienamide?
The InChIKey is YUEBGFMWPOCSGD-WHDSBHAISA-N. The full InChI is InChI=1S/C14H23NO/c1-4-5-6-7-8-9-10-11-14(16)15-12-13(2)3/h4-7,9-10,13H,8,11-12H2,1-3H3,(H,15,16)/b5-4+,7-6-,10-9+.
What are the key properties of (3E,6Z,8E)-N-(2-methylpropyl)deca-3,6,8-trienamide?
(3E,6Z,8E)-N-(2-methylpropyl)deca-3,6,8-trienamide has a molecular weight of 221.34 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,6Z,8E)-N-(2-methylpropyl)deca-3,6,8-trienamide is sourced from PubChem (CID 58249820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).