3-[[amino(piperidin-1-yl)methylidene]amino]-N,N-diethylpropanamide;hydroiodide

C13H27IN4O — CID 111054620

IUPAC3-[[amino(piperidin-1-yl)methylidene]amino]-N,N-diethylpropanamide;hydroiodide
SMILESCCN(CC)C(=O)CC/N=C(\N)N1CCCCC1.I
InChIInChI=1S/C13H26N4O.HI/c1-3-16(4-2)12(18)8-9-15-13(14)17-10-6-5-7-11-17;/h3-11H2,1-2H3,(H2,14,15);1H
InChIKeyFLSSDWYKJFRTSC-UHFFFAOYSA-N
MW382.29 g/mol
LogP1.66
Rot. Bonds5

About 3-[[amino(piperidin-1-yl)methylidene]amino]-N,N-diethylpropanamide;hydroiodide

3-[[amino(piperidin-1-yl)methylidene]amino]-N,N-diethylpropanamide;hydroiodide (PubChem CID 111054620) has the molecular formula C13H27IN4O and a molecular weight of 382.29 g/mol. Its IUPAC name is 3-[[amino(piperidin-1-yl)methylidene]amino]-N,N-diethylpropanamide;hydroiodide.

Molecular Properties

Compound Name3-[[amino(piperidin-1-yl)methylidene]amino]-N,N-diethylpropanamide;hydroiodide
PubChem CID111054620
Molecular FormulaC13H27IN4O
Molecular Weight382.29 g/mol
Exact Mass382.12
IUPAC Name3-[[amino(piperidin-1-yl)methylidene]amino]-N,N-diethylpropanamide;hydroiodide
SMILESCCN(CC)C(=O)CC/N=C(\N)N1CCCCC1.I
InChIInChI=1S/C13H26N4O.HI/c1-3-16(4-2)12(18)8-9-15-13(14)17-10-6-5-7-11-17;/h3-11H2,1-2H3,(H2,14,15);1H
InChIKeyFLSSDWYKJFRTSC-UHFFFAOYSA-N
XLogP1.66
TPSA61.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.29
LogP ≤ 51.66
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'}

Analyze 3-[[amino(piperidin-1-yl)methylidene]amino]-N,N-diethylpropanamide;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

3-[[amino(thiomorpholin-4-yl)methylidene]amino]-N,N-diethylpropanamide;hydroiodide
CID 75493964
ethyl 4-[[amino(piperidin-1-yl)methylidene]amino]butanoate
CID 111025670
N'-propylazocane-1-carboximidamide
CID 62361040
N'-[3-(diethylamino)propyl]piperidine-1-carboximidamide;hydroiodide
CID 111025415
methyl 7-[[amino(piperidin-1-yl)methylidene]amino]heptanoate;hydroiodide
CID 111040598
N'-[6-[[amino(piperidin-1-yl)methylidene]amino]hexyl]piperidine-1-carboximidamide;hydroiodide
CID 110062182
N'-[2-(ethylsulfonylamino)ethyl]piperidine-1-carboximidamide
CID 111062631
tert-butyl 6-[[amino(piperidin-1-yl)methylidene]amino]hexanoate;hydroiodide
CID 111816215
N'-[6-[[amino(azepan-1-yl)methylidene]amino]hexyl]azepane-1-carboximidamide
CID 110062207
propan-2-yl 4-[[amino(piperidin-1-yl)methylidene]amino]butanoate;hydroiodide
CID 110062083
N,N-diethyl-3-piperidin-1-ylpropanamide
CID 110688324
N'-[3-(dimethylamino)propyl]piperidine-1-carboximidamide
CID 111023941

Frequently Asked Questions

What is the IUPAC name of 3-[[amino(piperidin-1-yl)methylidene]amino]-N,N-diethylpropanamide;hydroiodide?
The IUPAC name of 3-[[amino(piperidin-1-yl)methylidene]amino]-N,N-diethylpropanamide;hydroiodide (CID 111054620) is 3-[[amino(piperidin-1-yl)methylidene]amino]-N,N-diethylpropanamide;hydroiodide.
What is the SMILES notation for 3-[[amino(piperidin-1-yl)methylidene]amino]-N,N-diethylpropanamide;hydroiodide?
The canonical SMILES for 3-[[amino(piperidin-1-yl)methylidene]amino]-N,N-diethylpropanamide;hydroiodide is CCN(CC)C(=O)CC/N=C(\N)N1CCCCC1.I.
What is the InChIKey of 3-[[amino(piperidin-1-yl)methylidene]amino]-N,N-diethylpropanamide;hydroiodide?
The InChIKey is FLSSDWYKJFRTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O.HI/c1-3-16(4-2)12(18)8-9-15-13(14)17-10-6-5-7-11-17;/h3-11H2,1-2H3,(H2,14,15);1H.
What are the key properties of 3-[[amino(piperidin-1-yl)methylidene]amino]-N,N-diethylpropanamide;hydroiodide?
3-[[amino(piperidin-1-yl)methylidene]amino]-N,N-diethylpropanamide;hydroiodide has a molecular weight of 382.29 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[amino(piperidin-1-yl)methylidene]amino]-N,N-diethylpropanamide;hydroiodide is sourced from PubChem (CID 111054620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).