N-[3-[[amino-(cyclohexylamino)methylidene]amino]propyl]-3-methylfuran-2-carboxamide;hydroiodide

C16H27IN4O2 — CID 111817799

IUPACN-[3-[[amino-(cyclohexylamino)methylidene]amino]propyl]-3-methylfuran-2-carboxamide;hydroiodide
SMILESCc1ccoc1C(=O)NCCC/N=C(\N)NC1CCCCC1.I
InChIInChI=1S/C16H26N4O2.HI/c1-12-8-11-22-14(12)15(21)18-9-5-10-19-16(17)20-13-6-3-2-4-7-13;/h8,11,13H,2-7,9-10H2,1H3,(H,18,21)(H3,17,19,20);1H
InChIKeyUWHGATWWLFSVAW-UHFFFAOYSA-N
MW434.32 g/mol
LogP2.56
Rot. Bonds6

About N-[3-[[amino-(cyclohexylamino)methylidene]amino]propyl]-3-methylfuran-2-carboxamide;hydroiodide

N-[3-[[amino-(cyclohexylamino)methylidene]amino]propyl]-3-methylfuran-2-carboxamide;hydroiodide (PubChem CID 111817799) has the molecular formula C16H27IN4O2 and a molecular weight of 434.32 g/mol. Its IUPAC name is N-[3-[[amino-(cyclohexylamino)methylidene]amino]propyl]-3-methylfuran-2-carboxamide;hydroiodide.

Molecular Properties

Compound NameN-[3-[[amino-(cyclohexylamino)methylidene]amino]propyl]-3-methylfuran-2-carboxamide;hydroiodide
PubChem CID111817799
Molecular FormulaC16H27IN4O2
Molecular Weight434.32 g/mol
Exact Mass434.12
IUPAC NameN-[3-[[amino-(cyclohexylamino)methylidene]amino]propyl]-3-methylfuran-2-carboxamide;hydroiodide
SMILESCc1ccoc1C(=O)NCCC/N=C(\N)NC1CCCCC1.I
InChIInChI=1S/C16H26N4O2.HI/c1-12-8-11-22-14(12)15(21)18-9-5-10-19-16(17)20-13-6-3-2-4-7-13;/h8,11,13H,2-7,9-10H2,1H3,(H,18,21)(H3,17,19,20);1H
InChIKeyUWHGATWWLFSVAW-UHFFFAOYSA-N
XLogP2.56
TPSA92.65 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.32
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-(octylamino)methylidene]amino]propyl]-3-methylfuran-2-carboxamide
CID 111817772
3-methyl-N-[3-[(N'-methylcarbamimidoyl)amino]propyl]furan-2-carboxamide;hydroiodide
CID 111439289
N-[3-[[amino-(3-ethylanilino)methylidene]amino]propyl]-3-methylfuran-2-carboxamide;hydroiodide
CID 111817723
1-cycloheptyl-2-[(3-methylfuran-2-yl)methyl]guanidine
CID 122082759
N-cyclopropyl-3-methylfuran-2-carboxamide
CID 60675996
N-[3-[[amino-[2-(3,4-dimethoxyphenyl)ethylamino]methylidene]amino]propyl]-3-methylfuran-2-carboxamide
CID 111817744
N-[3-[[amino-(2,5-diethoxyanilino)methylidene]amino]propyl]-3-methylfuran-2-carboxamide
CID 111817816
N-[2-[[amino-(cyclohexylamino)methylidene]amino]ethyl]-4-chlorobenzamide;hydroiodide
CID 111042945
N-(4-aminobutyl)-3-methylfuran-2-carboxamide
CID 60895762
N-[3-[(1-aminocyclohexanecarbonyl)amino]propyl]-3-methylfuran-2-carboxamide
CID 119332014
N-[2-[[amino-(cyclohexylamino)methylidene]amino]ethyl]-2-fluorobenzamide;hydroiodide
CID 111075646
N-[3-[[ethylamino-[3-(4-methylpiperidin-1-yl)propylamino]methylidene]amino]propyl]-3-methylfuran-2-carboxamide;hydroiodide
CID 111776267

Frequently Asked Questions

What is the IUPAC name of N-[3-[[amino-(cyclohexylamino)methylidene]amino]propyl]-3-methylfuran-2-carboxamide;hydroiodide?
The IUPAC name of N-[3-[[amino-(cyclohexylamino)methylidene]amino]propyl]-3-methylfuran-2-carboxamide;hydroiodide (CID 111817799) is N-[3-[[amino-(cyclohexylamino)methylidene]amino]propyl]-3-methylfuran-2-carboxamide;hydroiodide.
What is the SMILES notation for N-[3-[[amino-(cyclohexylamino)methylidene]amino]propyl]-3-methylfuran-2-carboxamide;hydroiodide?
The canonical SMILES for N-[3-[[amino-(cyclohexylamino)methylidene]amino]propyl]-3-methylfuran-2-carboxamide;hydroiodide is Cc1ccoc1C(=O)NCCC/N=C(\N)NC1CCCCC1.I.
What is the InChIKey of N-[3-[[amino-(cyclohexylamino)methylidene]amino]propyl]-3-methylfuran-2-carboxamide;hydroiodide?
The InChIKey is UWHGATWWLFSVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2.HI/c1-12-8-11-22-14(12)15(21)18-9-5-10-19-16(17)20-13-6-3-2-4-7-13;/h8,11,13H,2-7,9-10H2,1H3,(H,18,21)(H3,17,19,20);1H.
What are the key properties of N-[3-[[amino-(cyclohexylamino)methylidene]amino]propyl]-3-methylfuran-2-carboxamide;hydroiodide?
N-[3-[[amino-(cyclohexylamino)methylidene]amino]propyl]-3-methylfuran-2-carboxamide;hydroiodide has a molecular weight of 434.32 g/mol, XLogP of 2.56, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[amino-(cyclohexylamino)methylidene]amino]propyl]-3-methylfuran-2-carboxamide;hydroiodide is sourced from PubChem (CID 111817799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).