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

C15H25IN4O — CID 111090964

IUPAC2-[bis(dimethylamino)methylideneamino]-N-(2-phenylethyl)acetamide;hydroiodide
SMILESCN(C)C(=NCC(=O)NCCc1ccccc1)N(C)C.I
InChIInChI=1S/C15H24N4O.HI/c1-18(2)15(19(3)4)17-12-14(20)16-11-10-13-8-6-5-7-9-13;/h5-9H,10-12H2,1-4H3,(H,16,20);1H
InChIKeyYIQTXBVPNTUZMA-UHFFFAOYSA-N
MW404.30 g/mol
LogP1.44
Rot. Bonds5

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

2-[bis(dimethylamino)methylideneamino]-N-(2-phenylethyl)acetamide;hydroiodide (PubChem CID 111090964) has the molecular formula C15H25IN4O and a molecular weight of 404.30 g/mol. Its IUPAC name is 2-[bis(dimethylamino)methylideneamino]-N-(2-phenylethyl)acetamide;hydroiodide.

Molecular Properties

Compound Name2-[bis(dimethylamino)methylideneamino]-N-(2-phenylethyl)acetamide;hydroiodide
PubChem CID111090964
Molecular FormulaC15H25IN4O
Molecular Weight404.30 g/mol
Exact Mass404.11
IUPAC Name2-[bis(dimethylamino)methylideneamino]-N-(2-phenylethyl)acetamide;hydroiodide
SMILESCN(C)C(=NCC(=O)NCCc1ccccc1)N(C)C.I
InChIInChI=1S/C15H24N4O.HI/c1-18(2)15(19(3)4)17-12-14(20)16-11-10-13-8-6-5-7-9-13;/h5-9H,10-12H2,1-4H3,(H,16,20);1H
InChIKeyYIQTXBVPNTUZMA-UHFFFAOYSA-N
XLogP1.44
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.30
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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(ethylamino)methylideneamino]-N-(2-phenylethyl)acetamide
CID 110930238
2-[[[butyl(methyl)amino]-(ethylamino)methylidene]amino]-N-(2-phenylethyl)acetamide
CID 111159958
2-[benzyl(methyl)amino]-N-(2-phenylethyl)acetamide
CID 54808729
2-[[amino-(4-ethylanilino)methylidene]amino]-N-(2-phenylethyl)acetamide;hydroiodide
CID 111090956
2-[[amino-(2-thiophen-2-ylethylamino)methylidene]amino]-N-(2-phenylethyl)acetamide;hydroiodide
CID 111090952
2-[[ethylamino-(2-ethylbutylamino)methylidene]amino]-N-(2-phenylethyl)acetamide;hydroiodide
CID 111890978
2-[[amino-(2-methylprop-2-enylamino)methylidene]amino]-N-(2-phenylethyl)acetamide
CID 111090997
2-benzyl-1,1-dimethyl-3-(2-phenylethyl)guanidine
CID 111022931
N,N-dimethyl-2-[[(2-methylprop-2-enylamino)-(2-phenylethylamino)methylidene]amino]acetamide;hydroiodide
CID 111134136
2-[[(2-ethoxyethylamino)-(2-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111751604
2-[[amino-(3-ethylanilino)methylidene]amino]-N-(2-phenylethyl)acetamide;hydroiodide
CID 111090960
N-[2-[4-(dimethylamino)phenyl]ethyl]-3-phenylpropanamide
CID 16889411

Frequently Asked Questions

What is the IUPAC name of 2-[bis(dimethylamino)methylideneamino]-N-(2-phenylethyl)acetamide;hydroiodide?
The IUPAC name of 2-[bis(dimethylamino)methylideneamino]-N-(2-phenylethyl)acetamide;hydroiodide (CID 111090964) is 2-[bis(dimethylamino)methylideneamino]-N-(2-phenylethyl)acetamide;hydroiodide.
What is the SMILES notation for 2-[bis(dimethylamino)methylideneamino]-N-(2-phenylethyl)acetamide;hydroiodide?
The canonical SMILES for 2-[bis(dimethylamino)methylideneamino]-N-(2-phenylethyl)acetamide;hydroiodide is CN(C)C(=NCC(=O)NCCc1ccccc1)N(C)C.I.
What is the InChIKey of 2-[bis(dimethylamino)methylideneamino]-N-(2-phenylethyl)acetamide;hydroiodide?
The InChIKey is YIQTXBVPNTUZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O.HI/c1-18(2)15(19(3)4)17-12-14(20)16-11-10-13-8-6-5-7-9-13;/h5-9H,10-12H2,1-4H3,(H,16,20);1H.
What are the key properties of 2-[bis(dimethylamino)methylideneamino]-N-(2-phenylethyl)acetamide;hydroiodide?
2-[bis(dimethylamino)methylideneamino]-N-(2-phenylethyl)acetamide;hydroiodide has a molecular weight of 404.30 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(dimethylamino)methylideneamino]-N-(2-phenylethyl)acetamide;hydroiodide is sourced from PubChem (CID 111090964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).