2-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]-N-(cyanomethyl)acetamide;hydroiodide

C11H20IN5O — CID 120973942

IUPAC2-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]-N-(cyanomethyl)acetamide;hydroiodide
SMILESCC1CCCN(/C(N)=N/CC(=O)NCC#N)C1.I
InChIInChI=1S/C11H19N5O.HI/c1-9-3-2-6-16(8-9)11(13)15-7-10(17)14-5-4-12;/h9H,2-3,5-8H2,1H3,(H2,13,15)(H,14,17);1H
InChIKeyXVZOIKKGUQANND-UHFFFAOYSA-N
MW365.22 g/mol
LogP0.29
Rot. Bonds3

About 2-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]-N-(cyanomethyl)acetamide;hydroiodide

2-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]-N-(cyanomethyl)acetamide;hydroiodide (PubChem CID 120973942) has the molecular formula C11H20IN5O and a molecular weight of 365.22 g/mol. Its IUPAC name is 2-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]-N-(cyanomethyl)acetamide;hydroiodide.

Molecular Properties

Compound Name2-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]-N-(cyanomethyl)acetamide;hydroiodide
PubChem CID120973942
Molecular FormulaC11H20IN5O
Molecular Weight365.22 g/mol
Exact Mass365.07
IUPAC Name2-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]-N-(cyanomethyl)acetamide;hydroiodide
SMILESCC1CCCN(/C(N)=N/CC(=O)NCC#N)C1.I
InChIInChI=1S/C11H19N5O.HI/c1-9-3-2-6-16(8-9)11(13)15-7-10(17)14-5-4-12;/h9H,2-3,5-8H2,1H3,(H2,13,15)(H,14,17);1H
InChIKeyXVZOIKKGUQANND-UHFFFAOYSA-N
XLogP0.29
TPSA94.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.22
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}, {'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-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-(cyanomethyl)acetamide
CID 120967432
2-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]-N-cyclopropylacetamide;hydroiodide
CID 111034680
2-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]-N-cyclohexyl-N-methylacetamide;hydroiodide
CID 119142472
2-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-prop-2-ynylacetamide
CID 110930318
2-[[amino-(2-methylmorpholin-4-yl)methylidene]amino]-N-propan-2-ylacetamide;hydroiodide
CID 120661109
N'-(3-methoxypropyl)-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 91642293
(3R)-3-methyl-N'-(2-methylsulfanylethyl)piperidine-1-carboximidamide
CID 100673266
N'-[(1-hydroxycyclopentyl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111088654
ethyl 4-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]butanoate;hydroiodide
CID 111025639
(3R)-N'-hydroxy-3-methylpiperidine-1-carboximidamide
CID 166099569
N'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111097798
tert-butyl 3-[[[amino-(3-methylpiperidin-1-yl)methylidene]amino]methyl]pyrrolidine-1-carboxylate;hydroiodide
CID 110032281

Frequently Asked Questions

What is the IUPAC name of 2-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]-N-(cyanomethyl)acetamide;hydroiodide?
The IUPAC name of 2-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]-N-(cyanomethyl)acetamide;hydroiodide (CID 120973942) is 2-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]-N-(cyanomethyl)acetamide;hydroiodide.
What is the SMILES notation for 2-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]-N-(cyanomethyl)acetamide;hydroiodide?
The canonical SMILES for 2-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]-N-(cyanomethyl)acetamide;hydroiodide is CC1CCCN(/C(N)=N/CC(=O)NCC#N)C1.I.
What is the InChIKey of 2-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]-N-(cyanomethyl)acetamide;hydroiodide?
The InChIKey is XVZOIKKGUQANND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O.HI/c1-9-3-2-6-16(8-9)11(13)15-7-10(17)14-5-4-12;/h9H,2-3,5-8H2,1H3,(H2,13,15)(H,14,17);1H.
What are the key properties of 2-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]-N-(cyanomethyl)acetamide;hydroiodide?
2-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]-N-(cyanomethyl)acetamide;hydroiodide has a molecular weight of 365.22 g/mol, XLogP of 0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]-N-(cyanomethyl)acetamide;hydroiodide is sourced from PubChem (CID 120973942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).