N-[3-[[amino-(3-methylbutylamino)methylidene]amino]propyl]cyclobutanecarboxamide;hydroiodide

C14H29IN4O — CID 111752297

IUPACN-[3-[[amino-(3-methylbutylamino)methylidene]amino]propyl]cyclobutanecarboxamide;hydroiodide
SMILESCC(C)CCN/C(N)=N/CCCNC(=O)C1CCC1.I
InChIInChI=1S/C14H28N4O.HI/c1-11(2)7-10-18-14(15)17-9-4-8-16-13(19)12-5-3-6-12;/h11-12H,3-10H2,1-2H3,(H,16,19)(H3,15,17,18);1H
InChIKeyAOSUDXATCIUYPC-UHFFFAOYSA-N
MW396.32 g/mol
LogP1.86
Rot. Bonds8

About N-[3-[[amino-(3-methylbutylamino)methylidene]amino]propyl]cyclobutanecarboxamide;hydroiodide

N-[3-[[amino-(3-methylbutylamino)methylidene]amino]propyl]cyclobutanecarboxamide;hydroiodide (PubChem CID 111752297) has the molecular formula C14H29IN4O and a molecular weight of 396.32 g/mol. Its IUPAC name is N-[3-[[amino-(3-methylbutylamino)methylidene]amino]propyl]cyclobutanecarboxamide;hydroiodide.

Molecular Properties

Compound NameN-[3-[[amino-(3-methylbutylamino)methylidene]amino]propyl]cyclobutanecarboxamide;hydroiodide
PubChem CID111752297
Molecular FormulaC14H29IN4O
Molecular Weight396.32 g/mol
Exact Mass396.14
IUPAC NameN-[3-[[amino-(3-methylbutylamino)methylidene]amino]propyl]cyclobutanecarboxamide;hydroiodide
SMILESCC(C)CCN/C(N)=N/CCCNC(=O)C1CCC1.I
InChIInChI=1S/C14H28N4O.HI/c1-11(2)7-10-18-14(15)17-9-4-8-16-13(19)12-5-3-6-12;/h11-12H,3-10H2,1-2H3,(H,16,19)(H3,15,17,18);1H
InChIKeyAOSUDXATCIUYPC-UHFFFAOYSA-N
XLogP1.86
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.32
LogP ≤ 51.86
H-Bond Donors ≤ 53
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-[(N'-propylcarbamimidoyl)amino]propyl]cyclobutanecarboxamide
CID 111752274
2-(3-cyclopropylpropyl)-1-(3-methylbutyl)guanidine;hydroiodide
CID 111816691
2-(3-cyclopentylpropyl)-1-(3-methylbutyl)guanidine
CID 111062741
N-[3-[[amino(anilino)methylidene]amino]propyl]cyclobutanecarboxamide;hydroiodide
CID 111752283
N-[3-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]propyl]cyclobutanecarboxamide;hydroiodide
CID 111752257
ethyl 4-[[amino-(3-methylbutylamino)methylidene]amino]butanoate;hydroiodide
CID 111025588
N-[3-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]propyl]cyclobutanecarboxamide
CID 111752258
2-[3-(4-hydroxypiperidin-1-yl)propyl]-1-(3-methylbutyl)guanidine;hydroiodide
CID 111057067
1-(3-methylbutyl)-2-[4-(4-methylpiperidin-1-yl)butyl]guanidine
CID 111059649
N-[3-[[amino-(4-methoxyanilino)methylidene]amino]propyl]cyclobutanecarboxamide;hydroiodide
CID 111752383
N-[3-[[amino-[2-(4-methoxyphenyl)ethylamino]methylidene]amino]propyl]cyclobutanecarboxamide
CID 111752348
2-(4,4-dimethylpentyl)-1-(3-methylbutyl)guanidine;hydroiodide
CID 111818207

Frequently Asked Questions

What is the IUPAC name of N-[3-[[amino-(3-methylbutylamino)methylidene]amino]propyl]cyclobutanecarboxamide;hydroiodide?
The IUPAC name of N-[3-[[amino-(3-methylbutylamino)methylidene]amino]propyl]cyclobutanecarboxamide;hydroiodide (CID 111752297) is N-[3-[[amino-(3-methylbutylamino)methylidene]amino]propyl]cyclobutanecarboxamide;hydroiodide.
What is the SMILES notation for N-[3-[[amino-(3-methylbutylamino)methylidene]amino]propyl]cyclobutanecarboxamide;hydroiodide?
The canonical SMILES for N-[3-[[amino-(3-methylbutylamino)methylidene]amino]propyl]cyclobutanecarboxamide;hydroiodide is CC(C)CCN/C(N)=N/CCCNC(=O)C1CCC1.I.
What is the InChIKey of N-[3-[[amino-(3-methylbutylamino)methylidene]amino]propyl]cyclobutanecarboxamide;hydroiodide?
The InChIKey is AOSUDXATCIUYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O.HI/c1-11(2)7-10-18-14(15)17-9-4-8-16-13(19)12-5-3-6-12;/h11-12H,3-10H2,1-2H3,(H,16,19)(H3,15,17,18);1H.
What are the key properties of N-[3-[[amino-(3-methylbutylamino)methylidene]amino]propyl]cyclobutanecarboxamide;hydroiodide?
N-[3-[[amino-(3-methylbutylamino)methylidene]amino]propyl]cyclobutanecarboxamide;hydroiodide has a molecular weight of 396.32 g/mol, XLogP of 1.86, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[amino-(3-methylbutylamino)methylidene]amino]propyl]cyclobutanecarboxamide;hydroiodide is sourced from PubChem (CID 111752297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).