N,N-dimethyl-2-[[[[1-(2-methylpropanoyl)piperidin-4-yl]amino]-(propylamino)methylidene]amino]acetamide;hydroiodide

C17H34IN5O2 — CID 110039210

IUPACN,N-dimethyl-2-[[[[1-(2-methylpropanoyl)piperidin-4-yl]amino]-(propylamino)methylidene]amino]acetamide;hydroiodide
SMILESCCCN/C(=N\CC(=O)N(C)C)NC1CCN(C(=O)C(C)C)CC1.I
InChIInChI=1S/C17H33N5O2.HI/c1-6-9-18-17(19-12-15(23)21(4)5)20-14-7-10-22(11-8-14)16(24)13(2)3;/h13-14H,6-12H2,1-5H3,(H2,18,19,20);1H
InChIKeySTTSHDBXIPKWKM-UHFFFAOYSA-N
MW467.40 g/mol
LogP1.28
Rot. Bonds6

About N,N-dimethyl-2-[[[[1-(2-methylpropanoyl)piperidin-4-yl]amino]-(propylamino)methylidene]amino]acetamide;hydroiodide

N,N-dimethyl-2-[[[[1-(2-methylpropanoyl)piperidin-4-yl]amino]-(propylamino)methylidene]amino]acetamide;hydroiodide (PubChem CID 110039210) has the molecular formula C17H34IN5O2 and a molecular weight of 467.40 g/mol. Its IUPAC name is N,N-dimethyl-2-[[[[1-(2-methylpropanoyl)piperidin-4-yl]amino]-(propylamino)methylidene]amino]acetamide;hydroiodide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[[[1-(2-methylpropanoyl)piperidin-4-yl]amino]-(propylamino)methylidene]amino]acetamide;hydroiodide
PubChem CID110039210
Molecular FormulaC17H34IN5O2
Molecular Weight467.40 g/mol
Exact Mass467.18
IUPAC NameN,N-dimethyl-2-[[[[1-(2-methylpropanoyl)piperidin-4-yl]amino]-(propylamino)methylidene]amino]acetamide;hydroiodide
SMILESCCCN/C(=N\CC(=O)N(C)C)NC1CCN(C(=O)C(C)C)CC1.I
InChIInChI=1S/C17H33N5O2.HI/c1-6-9-18-17(19-12-15(23)21(4)5)20-14-7-10-22(11-8-14)16(24)13(2)3;/h13-14H,6-12H2,1-5H3,(H2,18,19,20);1H
InChIKeySTTSHDBXIPKWKM-UHFFFAOYSA-N
XLogP1.28
TPSA77.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.40
LogP ≤ 51.28
H-Bond Donors ≤ 52
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

ethyl 4-[[N'-[2-(dimethylamino)-2-oxoethyl]-N-propylcarbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111776995
methyl 4-[[N'-[2-(dimethylamino)-2-oxoethyl]-N-propylcarbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 110040430
2-[[butylamino-[[1-(2-ethylbutanoyl)piperidin-4-yl]amino]methylidene]amino]-N,N-dimethylacetamide
CID 110039589
2-[[(2-bicyclo[2.2.1]heptanylamino)-[[1-(2-methylpropanoyl)piperidin-4-yl]amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110039186
2-[[[[1-(2-methoxyethyl)piperidin-4-yl]amino]-(propylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110040197
2-[[butylamino-[(1-propylpiperidin-4-yl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111019180
2-[[(cyclohexylmethylamino)-[[1-(2-ethylbutanoyl)piperidin-4-yl]amino]methylidene]amino]-N,N-dimethylacetamide
CID 110039619
N,N-dimethyl-2-[[propylamino-[(1-pyrimidin-2-ylpiperidin-4-yl)amino]methylidene]amino]acetamide
CID 110039147
N,N-dimethyl-2-[[[(1-phenylpyrrolidin-3-yl)amino]-(propylamino)methylidene]amino]acetamide;hydroiodide
CID 110040250
2-[[[[1-(2-ethylbutanoyl)piperidin-4-yl]amino]-(oxolan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110039624
N,N-dimethyl-2-[[(2-methylsulfanylethylamino)-[(1-propanoylpyrrolidin-3-yl)amino]methylidene]amino]acetamide
CID 110047540
2-[[butylamino-[[1-(2-propan-2-yloxyethyl)piperidin-4-yl]amino]methylidene]amino]-N,N-dimethylacetamide
CID 110042386

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[[[1-(2-methylpropanoyl)piperidin-4-yl]amino]-(propylamino)methylidene]amino]acetamide;hydroiodide?
The IUPAC name of N,N-dimethyl-2-[[[[1-(2-methylpropanoyl)piperidin-4-yl]amino]-(propylamino)methylidene]amino]acetamide;hydroiodide (CID 110039210) is N,N-dimethyl-2-[[[[1-(2-methylpropanoyl)piperidin-4-yl]amino]-(propylamino)methylidene]amino]acetamide;hydroiodide.
What is the SMILES notation for N,N-dimethyl-2-[[[[1-(2-methylpropanoyl)piperidin-4-yl]amino]-(propylamino)methylidene]amino]acetamide;hydroiodide?
The canonical SMILES for N,N-dimethyl-2-[[[[1-(2-methylpropanoyl)piperidin-4-yl]amino]-(propylamino)methylidene]amino]acetamide;hydroiodide is CCCN/C(=N\CC(=O)N(C)C)NC1CCN(C(=O)C(C)C)CC1.I.
What is the InChIKey of N,N-dimethyl-2-[[[[1-(2-methylpropanoyl)piperidin-4-yl]amino]-(propylamino)methylidene]amino]acetamide;hydroiodide?
The InChIKey is STTSHDBXIPKWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N5O2.HI/c1-6-9-18-17(19-12-15(23)21(4)5)20-14-7-10-22(11-8-14)16(24)13(2)3;/h13-14H,6-12H2,1-5H3,(H2,18,19,20);1H.
What are the key properties of N,N-dimethyl-2-[[[[1-(2-methylpropanoyl)piperidin-4-yl]amino]-(propylamino)methylidene]amino]acetamide;hydroiodide?
N,N-dimethyl-2-[[[[1-(2-methylpropanoyl)piperidin-4-yl]amino]-(propylamino)methylidene]amino]acetamide;hydroiodide has a molecular weight of 467.40 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[[[1-(2-methylpropanoyl)piperidin-4-yl]amino]-(propylamino)methylidene]amino]acetamide;hydroiodide is sourced from PubChem (CID 110039210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).