(2E,4Z)-5-[1-(dimethylamino)propyl]-3-ethyl-2-methylhexa-2,4-dienediamide

C14H25N3O2 — CID 156761805

IUPAC(2E,4Z)-5-[1-(dimethylamino)propyl]-3-ethyl-2-methylhexa-2,4-dienediamide
SMILESCCC(/C=C(\C(N)=O)C(CC)N(C)C)=C(/C)C(N)=O
InChIInChI=1S/C14H25N3O2/c1-6-10(9(3)13(15)18)8-11(14(16)19)12(7-2)17(4)5/h8,12H,6-7H2,1-5H3,(H2,15,18)(H2,16,19)/b10-9+,11-8-
InChIKeyACMMQJAWEXOWJK-PGGWCAKNSA-N
MW267.37 g/mol
LogP0.95
Rot. Bonds7

About (2E,4Z)-5-[1-(dimethylamino)propyl]-3-ethyl-2-methylhexa-2,4-dienediamide

(2E,4Z)-5-[1-(dimethylamino)propyl]-3-ethyl-2-methylhexa-2,4-dienediamide (PubChem CID 156761805) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is (2E,4Z)-5-[1-(dimethylamino)propyl]-3-ethyl-2-methylhexa-2,4-dienediamide.

Molecular Properties

Compound Name(2E,4Z)-5-[1-(dimethylamino)propyl]-3-ethyl-2-methylhexa-2,4-dienediamide
PubChem CID156761805
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name(2E,4Z)-5-[1-(dimethylamino)propyl]-3-ethyl-2-methylhexa-2,4-dienediamide
SMILESCCC(/C=C(\C(N)=O)C(CC)N(C)C)=C(/C)C(N)=O
InChIInChI=1S/C14H25N3O2/c1-6-10(9(3)13(15)18)8-11(14(16)19)12(7-2)17(4)5/h8,12H,6-7H2,1-5H3,(H2,15,18)(H2,16,19)/b10-9+,11-8-
InChIKeyACMMQJAWEXOWJK-PGGWCAKNSA-N
XLogP0.95
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2Z,4Z)-5-[1-(dimethylamino)propyl]-3-(1-ethoxyethyl)-2-methylhexa-2,4-dienediamide
CID 156761797
4-(dimethylamino)-2-[1-(dimethylamino)propyl]hex-2-enamide
CID 173332823
3-(dimethylamino)-2-methylidenepentanamide;2-methylprop-2-enamide
CID 175472051
3-[1-(dimethylamino)propyl]-2-methylhexa-2,5-dienoic acid
CID 173079317
ethyl (2S)-2-(dimethylamino)butanoate
CID 51673671
methyl 2-(dimethylamino)butanoate
CID 14644900
3-(dimethylamino)-2-methylidenepentanamide;methyl hydrogen sulfite
CID 146301735
(2S)-2-(dimethylamino)butanehydrazide
CID 30403559
(4S)-4-(dimethylamino)-5-oxohexanamide
CID 59048247
4-aminohex-3-en-2-one
CID 57357968
N,N-dimethylmethanamine;2-methylidenebutanamide
CID 87072562
2-[methyl(propyl)amino]butanamide
CID 62900463

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-5-[1-(dimethylamino)propyl]-3-ethyl-2-methylhexa-2,4-dienediamide?
The IUPAC name of (2E,4Z)-5-[1-(dimethylamino)propyl]-3-ethyl-2-methylhexa-2,4-dienediamide (CID 156761805) is (2E,4Z)-5-[1-(dimethylamino)propyl]-3-ethyl-2-methylhexa-2,4-dienediamide.
What is the SMILES notation for (2E,4Z)-5-[1-(dimethylamino)propyl]-3-ethyl-2-methylhexa-2,4-dienediamide?
The canonical SMILES for (2E,4Z)-5-[1-(dimethylamino)propyl]-3-ethyl-2-methylhexa-2,4-dienediamide is CCC(/C=C(\C(N)=O)C(CC)N(C)C)=C(/C)C(N)=O.
What is the InChIKey of (2E,4Z)-5-[1-(dimethylamino)propyl]-3-ethyl-2-methylhexa-2,4-dienediamide?
The InChIKey is ACMMQJAWEXOWJK-PGGWCAKNSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-6-10(9(3)13(15)18)8-11(14(16)19)12(7-2)17(4)5/h8,12H,6-7H2,1-5H3,(H2,15,18)(H2,16,19)/b10-9+,11-8-.
What are the key properties of (2E,4Z)-5-[1-(dimethylamino)propyl]-3-ethyl-2-methylhexa-2,4-dienediamide?
(2E,4Z)-5-[1-(dimethylamino)propyl]-3-ethyl-2-methylhexa-2,4-dienediamide has a molecular weight of 267.37 g/mol, XLogP of 0.95, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-5-[1-(dimethylamino)propyl]-3-ethyl-2-methylhexa-2,4-dienediamide is sourced from PubChem (CID 156761805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).