2-[bis(dimethylamino)methylideneamino]-N-(furan-2-ylmethyl)acetamide;hydroiodide

C12H21IN4O2 — CID 111035911

IUPAC2-[bis(dimethylamino)methylideneamino]-N-(furan-2-ylmethyl)acetamide;hydroiodide
SMILESCN(C)C(=NCC(=O)NCc1ccco1)N(C)C.I
InChIInChI=1S/C12H20N4O2.HI/c1-15(2)12(16(3)4)14-9-11(17)13-8-10-6-5-7-18-10;/h5-7H,8-9H2,1-4H3,(H,13,17);1H
InChIKeyDODQGCGLUGMJJE-UHFFFAOYSA-N
MW380.23 g/mol
LogP0.99
Rot. Bonds4

About 2-[bis(dimethylamino)methylideneamino]-N-(furan-2-ylmethyl)acetamide;hydroiodide

2-[bis(dimethylamino)methylideneamino]-N-(furan-2-ylmethyl)acetamide;hydroiodide (PubChem CID 111035911) has the molecular formula C12H21IN4O2 and a molecular weight of 380.23 g/mol. Its IUPAC name is 2-[bis(dimethylamino)methylideneamino]-N-(furan-2-ylmethyl)acetamide;hydroiodide.

Molecular Properties

Compound Name2-[bis(dimethylamino)methylideneamino]-N-(furan-2-ylmethyl)acetamide;hydroiodide
PubChem CID111035911
Molecular FormulaC12H21IN4O2
Molecular Weight380.23 g/mol
Exact Mass380.07
IUPAC Name2-[bis(dimethylamino)methylideneamino]-N-(furan-2-ylmethyl)acetamide;hydroiodide
SMILESCN(C)C(=NCC(=O)NCc1ccco1)N(C)C.I
InChIInChI=1S/C12H20N4O2.HI/c1-15(2)12(16(3)4)14-9-11(17)13-8-10-6-5-7-18-10;/h5-7H,8-9H2,1-4H3,(H,13,17);1H
InChIKeyDODQGCGLUGMJJE-UHFFFAOYSA-N
XLogP0.99
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.23
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[bis(dimethylamino)methylideneamino]-N-(furan-2-ylmethyl)acetamide
CID 111035912
3-[[bis(dimethylamino)methylideneamino]methyl]-N-(furan-2-ylmethyl)benzamide;hydroiodide
CID 111058475
2-[[[[2-(diethylamino)-2-oxoethyl]-methylamino]-(ethylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide
CID 111010318
2-[[amino-(prop-2-enylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide
CID 110914043
2-amino-N-(furan-2-ylmethyl)acetamide
CID 7130773
2-[[N-(furan-2-ylmethyl)-N'-methylcarbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide
CID 119114439
N-(furan-2-ylmethyl)acetamide
CID 2394850
N-(furan-2-ylmethyl)-3-hydroxypropanamide
CID 82111306
N-(furan-2-ylmethyl)-2-pyrrol-1-ylacetamide
CID 110688542
2-[[ethylamino-(4-methylpentylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide
CID 111942488
N-ethyl-2-[ethyl-[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]acetamide
CID 26519118
2-[[ethylamino-(furan-2-ylmethylamino)methylidene]amino]-N-phenylacetamide;hydroiodide
CID 110937849

Frequently Asked Questions

What is the IUPAC name of 2-[bis(dimethylamino)methylideneamino]-N-(furan-2-ylmethyl)acetamide;hydroiodide?
The IUPAC name of 2-[bis(dimethylamino)methylideneamino]-N-(furan-2-ylmethyl)acetamide;hydroiodide (CID 111035911) is 2-[bis(dimethylamino)methylideneamino]-N-(furan-2-ylmethyl)acetamide;hydroiodide.
What is the SMILES notation for 2-[bis(dimethylamino)methylideneamino]-N-(furan-2-ylmethyl)acetamide;hydroiodide?
The canonical SMILES for 2-[bis(dimethylamino)methylideneamino]-N-(furan-2-ylmethyl)acetamide;hydroiodide is CN(C)C(=NCC(=O)NCc1ccco1)N(C)C.I.
What is the InChIKey of 2-[bis(dimethylamino)methylideneamino]-N-(furan-2-ylmethyl)acetamide;hydroiodide?
The InChIKey is DODQGCGLUGMJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2.HI/c1-15(2)12(16(3)4)14-9-11(17)13-8-10-6-5-7-18-10;/h5-7H,8-9H2,1-4H3,(H,13,17);1H.
What are the key properties of 2-[bis(dimethylamino)methylideneamino]-N-(furan-2-ylmethyl)acetamide;hydroiodide?
2-[bis(dimethylamino)methylideneamino]-N-(furan-2-ylmethyl)acetamide;hydroiodide has a molecular weight of 380.23 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(dimethylamino)methylideneamino]-N-(furan-2-ylmethyl)acetamide;hydroiodide is sourced from PubChem (CID 111035911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).