(2Z)-N-[2-(dimethylamino)ethyl]-2-(ethylideneamino)penta-2,4-dienamide

C11H19N3O — CID 156869327

IUPAC(2Z)-N-[2-(dimethylamino)ethyl]-2-(ethylideneamino)penta-2,4-dienamide
SMILESC=C/C=C(\N=C\C)C(=O)NCCN(C)C
InChIInChI=1S/C11H19N3O/c1-5-7-10(12-6-2)11(15)13-8-9-14(3)4/h5-7H,1,8-9H2,2-4H3,(H,13,15)/b10-7-,12-6+
InChIKeyJAGWOARWXCLKPB-QNNOERFZSA-N
MW209.29 g/mol
LogP0.82
Rot. Bonds6

About (2Z)-N-[2-(dimethylamino)ethyl]-2-(ethylideneamino)penta-2,4-dienamide

(2Z)-N-[2-(dimethylamino)ethyl]-2-(ethylideneamino)penta-2,4-dienamide (PubChem CID 156869327) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is (2Z)-N-[2-(dimethylamino)ethyl]-2-(ethylideneamino)penta-2,4-dienamide.

Molecular Properties

Compound Name(2Z)-N-[2-(dimethylamino)ethyl]-2-(ethylideneamino)penta-2,4-dienamide
PubChem CID156869327
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name(2Z)-N-[2-(dimethylamino)ethyl]-2-(ethylideneamino)penta-2,4-dienamide
SMILESC=C/C=C(\N=C\C)C(=O)NCCN(C)C
InChIInChI=1S/C11H19N3O/c1-5-7-10(12-6-2)11(15)13-8-9-14(3)4/h5-7H,1,8-9H2,2-4H3,(H,13,15)/b10-7-,12-6+
InChIKeyJAGWOARWXCLKPB-QNNOERFZSA-N
XLogP0.82
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-[2-(dimethylamino)ethyl]pent-4-enamide
CID 158602518
N-[2-[ethylidenecarbamoyl(methyl)amino]ethyl]prop-2-enamide
CID 141007643
N-[2-(dimethylamino)ethyl]prop-2-enamide;molecular hydrogen
CID 176682975
N-[2-(dimethylamino)ethyl]but-3-enamide
CID 89108263
N-[2-(dimethylamino)ethyl]-2-hydrazinyl-2-oxoacetamide
CID 21353407
2-amino-N-[2-(dimethylamino)ethyl]-2-methyliminoacetamide
CID 143976679
N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;prop-1-ene
CID 91268844
2-(dimethylamino)ethylurea
CID 16785331
2-(dimethylamino)ethylcarbamic acid;hydrochloride
CID 118321795
N-[2-(dimethylamino)ethyl]carbamoyl chloride
CID 87387045
N-[2-(dimethylamino)ethyl]-2,2-difluorobutanamide
CID 90205971
N-[(2E,4Z)-4-methylhepta-2,4,6-trien-3-yl]ethanimine
CID 146259127

Frequently Asked Questions

What is the IUPAC name of (2Z)-N-[2-(dimethylamino)ethyl]-2-(ethylideneamino)penta-2,4-dienamide?
The IUPAC name of (2Z)-N-[2-(dimethylamino)ethyl]-2-(ethylideneamino)penta-2,4-dienamide (CID 156869327) is (2Z)-N-[2-(dimethylamino)ethyl]-2-(ethylideneamino)penta-2,4-dienamide.
What is the SMILES notation for (2Z)-N-[2-(dimethylamino)ethyl]-2-(ethylideneamino)penta-2,4-dienamide?
The canonical SMILES for (2Z)-N-[2-(dimethylamino)ethyl]-2-(ethylideneamino)penta-2,4-dienamide is C=C/C=C(\N=C\C)C(=O)NCCN(C)C.
What is the InChIKey of (2Z)-N-[2-(dimethylamino)ethyl]-2-(ethylideneamino)penta-2,4-dienamide?
The InChIKey is JAGWOARWXCLKPB-QNNOERFZSA-N. The full InChI is InChI=1S/C11H19N3O/c1-5-7-10(12-6-2)11(15)13-8-9-14(3)4/h5-7H,1,8-9H2,2-4H3,(H,13,15)/b10-7-,12-6+.
What are the key properties of (2Z)-N-[2-(dimethylamino)ethyl]-2-(ethylideneamino)penta-2,4-dienamide?
(2Z)-N-[2-(dimethylamino)ethyl]-2-(ethylideneamino)penta-2,4-dienamide has a molecular weight of 209.29 g/mol, XLogP of 0.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-[2-(dimethylamino)ethyl]-2-(ethylideneamino)penta-2,4-dienamide is sourced from PubChem (CID 156869327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).