(E)-N-[3-(dimethylamino)propyl]-5,5-dimethylhex-2-enamide

C13H26N2O — CID 176757876

IUPAC(E)-N-[3-(dimethylamino)propyl]-5,5-dimethylhex-2-enamide
SMILESCN(C)CCCNC(=O)/C=C/CC(C)(C)C
InChIInChI=1S/C13H26N2O/c1-13(2,3)9-6-8-12(16)14-10-7-11-15(4)5/h6,8H,7,9-11H2,1-5H3,(H,14,16)/b8-6+
InChIKeyQARCNQHTJBWGPS-SOFGYWHQSA-N
MW226.36 g/mol
LogP2.05
Rot. Bonds6

About (E)-N-[3-(dimethylamino)propyl]-5,5-dimethylhex-2-enamide

(E)-N-[3-(dimethylamino)propyl]-5,5-dimethylhex-2-enamide (PubChem CID 176757876) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is (E)-N-[3-(dimethylamino)propyl]-5,5-dimethylhex-2-enamide.

Molecular Properties

Compound Name(E)-N-[3-(dimethylamino)propyl]-5,5-dimethylhex-2-enamide
PubChem CID176757876
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name(E)-N-[3-(dimethylamino)propyl]-5,5-dimethylhex-2-enamide
SMILESCN(C)CCCNC(=O)/C=C/CC(C)(C)C
InChIInChI=1S/C13H26N2O/c1-13(2,3)9-6-8-12(16)14-10-7-11-15(4)5/h6,8H,7,9-11H2,1-5H3,(H,14,16)/b8-6+
InChIKeyQARCNQHTJBWGPS-SOFGYWHQSA-N
XLogP2.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[2-(dimethylamino)ethyl]hept-2-enamide
CID 102117807
(Z)-N-[3-(dimethylamino)propyl]-3-phenylprop-2-enamide
CID 98926306
N-[3-(dimethylamino)propyl]-3-phenylprop-2-enamide
CID 4166232
(E)-N-tert-butyl-5,5-dimethylhex-2-enamide
CID 58901417
(E)-N-(4-acetamidobutyl)-4-(dimethylamino)but-2-enamide
CID 142551928
(E)-N-[3-[methyl-[3-[[(E)-oct-2-enoyl]amino]propyl]amino]propyl]oct-2-enamide
CID 102116540
N-[3-(dimethylamino)propyl]prop-2-enamide;prop-2-enamide;hydrochloride
CID 173080700
N-[3-[12-(dimethylamino)dodecyl-methylamino]propyl]prop-2-enamide
CID 118567429
3-(dimethylamino)propylcarbamic acid;hydrochloride
CID 87158282
N-(3-hydroxypropyl)pent-2-enamide
CID 174776324
N-[3-[3-[3-(dimethylamino)propylamino]propylamino]propyl]-2-hydroxyiminoacetamide
CID 171151800
N-[3-(dimethylamino)propyl]-2-methyl-2-methylphosphanylpropanamide
CID 176552020

Frequently Asked Questions

What is the IUPAC name of (E)-N-[3-(dimethylamino)propyl]-5,5-dimethylhex-2-enamide?
The IUPAC name of (E)-N-[3-(dimethylamino)propyl]-5,5-dimethylhex-2-enamide (CID 176757876) is (E)-N-[3-(dimethylamino)propyl]-5,5-dimethylhex-2-enamide.
What is the SMILES notation for (E)-N-[3-(dimethylamino)propyl]-5,5-dimethylhex-2-enamide?
The canonical SMILES for (E)-N-[3-(dimethylamino)propyl]-5,5-dimethylhex-2-enamide is CN(C)CCCNC(=O)/C=C/CC(C)(C)C.
What is the InChIKey of (E)-N-[3-(dimethylamino)propyl]-5,5-dimethylhex-2-enamide?
The InChIKey is QARCNQHTJBWGPS-SOFGYWHQSA-N. The full InChI is InChI=1S/C13H26N2O/c1-13(2,3)9-6-8-12(16)14-10-7-11-15(4)5/h6,8H,7,9-11H2,1-5H3,(H,14,16)/b8-6+.
What are the key properties of (E)-N-[3-(dimethylamino)propyl]-5,5-dimethylhex-2-enamide?
(E)-N-[3-(dimethylamino)propyl]-5,5-dimethylhex-2-enamide has a molecular weight of 226.36 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[3-(dimethylamino)propyl]-5,5-dimethylhex-2-enamide is sourced from PubChem (CID 176757876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).