4-(dimethylamino)-2-[1-(dimethylamino)propyl]hex-2-enamide

C13H27N3O — CID 173332823

IUPAC4-(dimethylamino)-2-[1-(dimethylamino)propyl]hex-2-enamide
SMILESCCC(C=C(C(N)=O)C(CC)N(C)C)N(C)C
InChIInChI=1S/C13H27N3O/c1-7-10(15(3)4)9-11(13(14)17)12(8-2)16(5)6/h9-10,12H,7-8H2,1-6H3,(H2,14,17)
InChIKeyWBLIUTKOPDBCEE-UHFFFAOYSA-N
MW241.38 g/mol
LogP1.08
Rot. Bonds7

About 4-(dimethylamino)-2-[1-(dimethylamino)propyl]hex-2-enamide

4-(dimethylamino)-2-[1-(dimethylamino)propyl]hex-2-enamide (PubChem CID 173332823) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 4-(dimethylamino)-2-[1-(dimethylamino)propyl]hex-2-enamide.

Molecular Properties

Compound Name4-(dimethylamino)-2-[1-(dimethylamino)propyl]hex-2-enamide
PubChem CID173332823
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name4-(dimethylamino)-2-[1-(dimethylamino)propyl]hex-2-enamide
SMILESCCC(C=C(C(N)=O)C(CC)N(C)C)N(C)C
InChIInChI=1S/C13H27N3O/c1-7-10(15(3)4)9-11(13(14)17)12(8-2)16(5)6/h9-10,12H,7-8H2,1-6H3,(H2,14,17)
InChIKeyWBLIUTKOPDBCEE-UHFFFAOYSA-N
XLogP1.08
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2E,4Z)-5-[1-(dimethylamino)propyl]-3-ethyl-2-methylhexa-2,4-dienediamide
CID 156761805
(2Z,4Z)-5-[1-(dimethylamino)propyl]-3-(1-ethoxyethyl)-2-methylhexa-2,4-dienediamide
CID 156761797
3-(dimethylamino)-2-methylidenepentanamide;2-methylprop-2-enamide
CID 175472051
ethyl (2S)-2-(dimethylamino)butanoate
CID 51673671
methyl 2-(dimethylamino)butanoate
CID 14644900
4-(difluoroamino)-2-[1-(difluoroamino)propyl]hex-2-enoic acid
CID 173368964
(2S)-2-(dimethylamino)butanehydrazide
CID 30403559
4-(dimethylamino)hex-2-enoic acid
CID 173288981
3-(dimethylamino)-2-methylidenepentanamide;methyl hydrogen sulfite
CID 146301735
3-[1-(dimethylamino)propyl]-2-methylhexa-2,5-dienoic acid
CID 173079317
2-[methyl(propyl)amino]butanamide
CID 62900463
2-[2-hydroxypropyl(methyl)amino]butanamide
CID 62901231

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-2-[1-(dimethylamino)propyl]hex-2-enamide?
The IUPAC name of 4-(dimethylamino)-2-[1-(dimethylamino)propyl]hex-2-enamide (CID 173332823) is 4-(dimethylamino)-2-[1-(dimethylamino)propyl]hex-2-enamide.
What is the SMILES notation for 4-(dimethylamino)-2-[1-(dimethylamino)propyl]hex-2-enamide?
The canonical SMILES for 4-(dimethylamino)-2-[1-(dimethylamino)propyl]hex-2-enamide is CCC(C=C(C(N)=O)C(CC)N(C)C)N(C)C.
What is the InChIKey of 4-(dimethylamino)-2-[1-(dimethylamino)propyl]hex-2-enamide?
The InChIKey is WBLIUTKOPDBCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-7-10(15(3)4)9-11(13(14)17)12(8-2)16(5)6/h9-10,12H,7-8H2,1-6H3,(H2,14,17).
What are the key properties of 4-(dimethylamino)-2-[1-(dimethylamino)propyl]hex-2-enamide?
4-(dimethylamino)-2-[1-(dimethylamino)propyl]hex-2-enamide has a molecular weight of 241.38 g/mol, XLogP of 1.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-2-[1-(dimethylamino)propyl]hex-2-enamide is sourced from PubChem (CID 173332823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).