(E)-N-[2-(dimethylamino)ethyl]non-4-enamide

C13H26N2O — CID 102117820

IUPAC(E)-N-[2-(dimethylamino)ethyl]non-4-enamide
SMILESCCCC/C=C/CCC(=O)NCCN(C)C
InChIInChI=1S/C13H26N2O/c1-4-5-6-7-8-9-10-13(16)14-11-12-15(2)3/h7-8H,4-6,9-12H2,1-3H3,(H,14,16)/b8-7+
InChIKeyAZVWBZMVHVLQOY-BQYQJAHWSA-N
MW226.36 g/mol
LogP2.19
Rot. Bonds9

About (E)-N-[2-(dimethylamino)ethyl]non-4-enamide

(E)-N-[2-(dimethylamino)ethyl]non-4-enamide (PubChem CID 102117820) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is (E)-N-[2-(dimethylamino)ethyl]non-4-enamide.

Molecular Properties

Compound Name(E)-N-[2-(dimethylamino)ethyl]non-4-enamide
PubChem CID102117820
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name(E)-N-[2-(dimethylamino)ethyl]non-4-enamide
SMILESCCCC/C=C/CCC(=O)NCCN(C)C
InChIInChI=1S/C13H26N2O/c1-4-5-6-7-8-9-10-13(16)14-11-12-15(2)3/h7-8H,4-6,9-12H2,1-3H3,(H,14,16)/b8-7+
InChIKeyAZVWBZMVHVLQOY-BQYQJAHWSA-N
XLogP2.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[2-(dimethylamino)ethyl]oct-4-enamide
CID 102117814
N-[2-(dimethylamino)ethyl]icosa-5,8,11,14-tetraenamide
CID 90799931
(E)-N-[2-(dimethylamino)ethyl]hept-2-enamide
CID 102117807
N-[2-[bis[2-(octadec-9-enoylamino)ethyl]amino]ethyl]octadec-9-enamide
CID 85077312
N-[2-(dimethylamino)ethyl]pent-4-enamide
CID 158602518
N-[2-(dimethylamino)ethyl]-4-hydroxybutanamide
CID 79002121
N-[3-(dimethylamino)propyl]nonanamide
CID 3395805
4-(dimethylamino)-N-octadecylbutanamide
CID 126689670
N-[2-[[(E)-octadec-9-enoyl]amino]ethyl]octadecanamide
CID 172898525
N-[2-(dimethylamino)ethyl]-4-(methylamino)butanamide
CID 60841312
N-[2-[[(Z)-octadec-9-enoyl]amino]ethyl]octadecanamide
CID 58048841
3-[2-(dimethylamino)ethyl-[3-[[(9Z,12Z)-octadeca-9,12-dienyl]amino]-3-oxopropyl]amino]-N-[(9Z,12Z)-octadeca-9,12-dienyl]propanamide
CID 164813974

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(dimethylamino)ethyl]non-4-enamide?
The IUPAC name of (E)-N-[2-(dimethylamino)ethyl]non-4-enamide (CID 102117820) is (E)-N-[2-(dimethylamino)ethyl]non-4-enamide.
What is the SMILES notation for (E)-N-[2-(dimethylamino)ethyl]non-4-enamide?
The canonical SMILES for (E)-N-[2-(dimethylamino)ethyl]non-4-enamide is CCCC/C=C/CCC(=O)NCCN(C)C.
What is the InChIKey of (E)-N-[2-(dimethylamino)ethyl]non-4-enamide?
The InChIKey is AZVWBZMVHVLQOY-BQYQJAHWSA-N. The full InChI is InChI=1S/C13H26N2O/c1-4-5-6-7-8-9-10-13(16)14-11-12-15(2)3/h7-8H,4-6,9-12H2,1-3H3,(H,14,16)/b8-7+.
What are the key properties of (E)-N-[2-(dimethylamino)ethyl]non-4-enamide?
(E)-N-[2-(dimethylamino)ethyl]non-4-enamide has a molecular weight of 226.36 g/mol, XLogP of 2.19, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(dimethylamino)ethyl]non-4-enamide is sourced from PubChem (CID 102117820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).