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

C12H23IN4O — CID 111034680

IUPAC2-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]-N-cyclopropylacetamide;hydroiodide
SMILESCC1CCCN(/C(N)=N/CC(=O)NC2CC2)C1.I
InChIInChI=1S/C12H22N4O.HI/c1-9-3-2-6-16(8-9)12(13)14-7-11(17)15-10-4-5-10;/h9-10H,2-8H2,1H3,(H2,13,14)(H,15,17);1H
InChIKeyBEGVSEUSCIKPRS-UHFFFAOYSA-N
MW366.25 g/mol
LogP0.93
Rot. Bonds3

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

2-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]-N-cyclopropylacetamide;hydroiodide (PubChem CID 111034680) has the molecular formula C12H23IN4O and a molecular weight of 366.25 g/mol. Its IUPAC name is 2-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]-N-cyclopropylacetamide;hydroiodide.

Molecular Properties

Compound Name2-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]-N-cyclopropylacetamide;hydroiodide
PubChem CID111034680
Molecular FormulaC12H23IN4O
Molecular Weight366.25 g/mol
Exact Mass366.09
IUPAC Name2-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]-N-cyclopropylacetamide;hydroiodide
SMILESCC1CCCN(/C(N)=N/CC(=O)NC2CC2)C1.I
InChIInChI=1S/C12H22N4O.HI/c1-9-3-2-6-16(8-9)12(13)14-7-11(17)15-10-4-5-10;/h9-10H,2-8H2,1H3,(H2,13,14)(H,15,17);1H
InChIKeyBEGVSEUSCIKPRS-UHFFFAOYSA-N
XLogP0.93
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.25
LogP ≤ 50.93
H-Bond Donors ≤ 52
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'}

Analyze 2-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]-N-cyclopropylacetamide;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]-N-(cyanomethyl)acetamide;hydroiodide
CID 120973942
tert-butyl 4-[N'-[2-(cyclopropylamino)-2-oxoethyl]carbamimidoyl]piperazine-1-carboxylate
CID 111034693
2-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]-N-cyclohexyl-N-methylacetamide;hydroiodide
CID 119142472
2-[[amino-(2-methylmorpholin-4-yl)methylidene]amino]-N-propan-2-ylacetamide;hydroiodide
CID 120661109
tert-butyl 3-[[[amino-(3-methylpiperidin-1-yl)methylidene]amino]methyl]pyrrolidine-1-carboxylate;hydroiodide
CID 110032281
N-cyclopropyl-4-[[ethylamino-(3-methylpiperidin-1-yl)methylidene]amino]butanamide;hydroiodide
CID 111145045
(3R)-3-methyl-N'-(2-methylsulfanylethyl)piperidine-1-carboximidamide
CID 100673266
2-[[amino(cyclopropyl)methylidene]amino]-N-cyclopropylacetamide
CID 63175546
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
3-methyl-N'-(2-methylcyclobutyl)piperidine-1-carboximidamide
CID 120974001

Frequently Asked Questions

What is the IUPAC name of 2-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]-N-cyclopropylacetamide;hydroiodide?
The IUPAC name of 2-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]-N-cyclopropylacetamide;hydroiodide (CID 111034680) is 2-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]-N-cyclopropylacetamide;hydroiodide.
What is the SMILES notation for 2-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]-N-cyclopropylacetamide;hydroiodide?
The canonical SMILES for 2-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]-N-cyclopropylacetamide;hydroiodide is CC1CCCN(/C(N)=N/CC(=O)NC2CC2)C1.I.
What is the InChIKey of 2-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]-N-cyclopropylacetamide;hydroiodide?
The InChIKey is BEGVSEUSCIKPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O.HI/c1-9-3-2-6-16(8-9)12(13)14-7-11(17)15-10-4-5-10;/h9-10H,2-8H2,1H3,(H2,13,14)(H,15,17);1H.
What are the key properties of 2-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]-N-cyclopropylacetamide;hydroiodide?
2-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]-N-cyclopropylacetamide;hydroiodide has a molecular weight of 366.25 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]-N-cyclopropylacetamide;hydroiodide is sourced from PubChem (CID 111034680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).