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

C12H24N2O — CID 102117814

IUPAC(E)-N-[2-(dimethylamino)ethyl]oct-4-enamide
SMILESCCC/C=C/CCC(=O)NCCN(C)C
InChIInChI=1S/C12H24N2O/c1-4-5-6-7-8-9-12(15)13-10-11-14(2)3/h6-7H,4-5,8-11H2,1-3H3,(H,13,15)/b7-6+
InChIKeyFJPMBBOQRKCIPP-VOTSOKGWSA-N
MW212.34 g/mol
LogP1.80
Rot. Bonds8

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

(E)-N-[2-(dimethylamino)ethyl]oct-4-enamide (PubChem CID 102117814) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is (E)-N-[2-(dimethylamino)ethyl]oct-4-enamide.

Molecular Properties

Compound Name(E)-N-[2-(dimethylamino)ethyl]oct-4-enamide
PubChem CID102117814
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name(E)-N-[2-(dimethylamino)ethyl]oct-4-enamide
SMILESCCC/C=C/CCC(=O)NCCN(C)C
InChIInChI=1S/C12H24N2O/c1-4-5-6-7-8-9-12(15)13-10-11-14(2)3/h6-7H,4-5,8-11H2,1-3H3,(H,13,15)/b7-6+
InChIKeyFJPMBBOQRKCIPP-VOTSOKGWSA-N
XLogP1.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[2-(dimethylamino)ethyl]non-4-enamide
CID 102117820
N-[2-(dimethylamino)ethyl]icosa-5,8,11,14-tetraenamide
CID 90799931
N-[2-(dimethylamino)ethyl]pent-4-enamide
CID 158602518
(E)-N-[2-[ethyl(9-hydroxynonyl)amino]ethyl]oct-4-enamide
CID 101274880
(E)-N-[2-[2-hydroxyethyl(octyl)amino]ethyl]oct-4-enamide
CID 102117853
N-[2-(dimethylamino)ethyl]-4-hydroxybutanamide
CID 79002121
(E)-N-[2-[3-hydroxypropyl-[2-[[(E)-non-5-enoyl]amino]ethyl]amino]ethyl]non-5-enamide
CID 101285730
N-[2-(dimethylamino)ethyl]-4-(methylamino)butanamide
CID 60841312
18-(dimethylamino)-N-propyloctadecanamide
CID 87286031
10-[2-(dimethylamino)ethylamino]-10-oxodecanoic acid
CID 51038800
N,N'-bis[(E)-undec-7-enyl]hexanediamide
CID 101279980
3-[acetyl(propyl)amino]-N-[2-(dimethylamino)ethyl]propanamide
CID 113114928

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(dimethylamino)ethyl]oct-4-enamide?
The IUPAC name of (E)-N-[2-(dimethylamino)ethyl]oct-4-enamide (CID 102117814) is (E)-N-[2-(dimethylamino)ethyl]oct-4-enamide.
What is the SMILES notation for (E)-N-[2-(dimethylamino)ethyl]oct-4-enamide?
The canonical SMILES for (E)-N-[2-(dimethylamino)ethyl]oct-4-enamide is CCC/C=C/CCC(=O)NCCN(C)C.
What is the InChIKey of (E)-N-[2-(dimethylamino)ethyl]oct-4-enamide?
The InChIKey is FJPMBBOQRKCIPP-VOTSOKGWSA-N. The full InChI is InChI=1S/C12H24N2O/c1-4-5-6-7-8-9-12(15)13-10-11-14(2)3/h6-7H,4-5,8-11H2,1-3H3,(H,13,15)/b7-6+.
What are the key properties of (E)-N-[2-(dimethylamino)ethyl]oct-4-enamide?
(E)-N-[2-(dimethylamino)ethyl]oct-4-enamide has a molecular weight of 212.34 g/mol, XLogP of 1.80, 8 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]oct-4-enamide is sourced from PubChem (CID 102117814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).