N-[3-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]propyl]cyclobutanecarboxamide;hydroiodide

C15H29IN4O — CID 111752257

IUPACN-[3-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]propyl]cyclobutanecarboxamide;hydroiodide
SMILESCC1CCN(/C(N)=N/CCCNC(=O)C2CCC2)CC1.I
InChIInChI=1S/C15H28N4O.HI/c1-12-6-10-19(11-7-12)15(16)18-9-3-8-17-14(20)13-4-2-5-13;/h12-13H,2-11H2,1H3,(H2,16,18)(H,17,20);1H
InChIKeySLYUHITWNRNJEX-UHFFFAOYSA-N
MW408.33 g/mol
LogP1.96
Rot. Bonds5

About N-[3-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]propyl]cyclobutanecarboxamide;hydroiodide

N-[3-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]propyl]cyclobutanecarboxamide;hydroiodide (PubChem CID 111752257) has the molecular formula C15H29IN4O and a molecular weight of 408.33 g/mol. Its IUPAC name is N-[3-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]propyl]cyclobutanecarboxamide;hydroiodide.

Molecular Properties

Compound NameN-[3-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]propyl]cyclobutanecarboxamide;hydroiodide
PubChem CID111752257
Molecular FormulaC15H29IN4O
Molecular Weight408.33 g/mol
Exact Mass408.14
IUPAC NameN-[3-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]propyl]cyclobutanecarboxamide;hydroiodide
SMILESCC1CCN(/C(N)=N/CCCNC(=O)C2CCC2)CC1.I
InChIInChI=1S/C15H28N4O.HI/c1-12-6-10-19(11-7-12)15(16)18-9-3-8-17-14(20)13-4-2-5-13;/h12-13H,2-11H2,1H3,(H2,16,18)(H,17,20);1H
InChIKeySLYUHITWNRNJEX-UHFFFAOYSA-N
XLogP1.96
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.33
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

N-[3-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]propyl]cyclobutanecarboxamide
CID 111752258
4-methyl-N'-(4-pyrrolidin-1-ylbutyl)piperidine-1-carboximidamide
CID 110920130
N-[3-[[amino-(3-methylbutylamino)methylidene]amino]propyl]cyclobutanecarboxamide;hydroiodide
CID 111752297
N-[2-[[N-methyl-C-(4-methylpiperidin-1-yl)carbonimidoyl]amino]ethyl]cyclohexanecarboxamide;hydroiodide
CID 111209855
N'-[3-(dipropylamino)propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110935040
N-[3-[[amino(piperidin-1-yl)methylidene]amino]propyl]-2-methylpropanamide
CID 109467785
N-[3-[(N'-propylcarbamimidoyl)amino]propyl]cyclobutanecarboxamide
CID 111752274
N'-(3-cyclopropylpropyl)-4-methylpiperidine-1-carboximidamide
CID 111435851
N'-[4-(3,5-dimethylpiperidin-1-yl)butyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110920087
3-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-butan-2-ylpropanamide;hydroiodide
CID 110920904
4-methyl-N'-(4-methylpentyl)piperidine-1-carboximidamide
CID 110919808
4-methyl-N'-[2-(2-methylpiperidin-1-yl)ethyl]piperidine-1-carboximidamide
CID 110920148

Frequently Asked Questions

What is the IUPAC name of N-[3-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]propyl]cyclobutanecarboxamide;hydroiodide?
The IUPAC name of N-[3-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]propyl]cyclobutanecarboxamide;hydroiodide (CID 111752257) is N-[3-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]propyl]cyclobutanecarboxamide;hydroiodide.
What is the SMILES notation for N-[3-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]propyl]cyclobutanecarboxamide;hydroiodide?
The canonical SMILES for N-[3-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]propyl]cyclobutanecarboxamide;hydroiodide is CC1CCN(/C(N)=N/CCCNC(=O)C2CCC2)CC1.I.
What is the InChIKey of N-[3-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]propyl]cyclobutanecarboxamide;hydroiodide?
The InChIKey is SLYUHITWNRNJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O.HI/c1-12-6-10-19(11-7-12)15(16)18-9-3-8-17-14(20)13-4-2-5-13;/h12-13H,2-11H2,1H3,(H2,16,18)(H,17,20);1H.
What are the key properties of N-[3-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]propyl]cyclobutanecarboxamide;hydroiodide?
N-[3-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]propyl]cyclobutanecarboxamide;hydroiodide has a molecular weight of 408.33 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]propyl]cyclobutanecarboxamide;hydroiodide is sourced from PubChem (CID 111752257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).