3-[2-[[amino-(cyclohexylamino)methylidene]amino]ethyl]-N-methylbenzamide;hydroiodide

C17H27IN4O — CID 111631963

IUPAC3-[2-[[amino-(cyclohexylamino)methylidene]amino]ethyl]-N-methylbenzamide;hydroiodide
SMILESCNC(=O)c1cccc(CC/N=C(\N)NC2CCCCC2)c1.I
InChIInChI=1S/C17H26N4O.HI/c1-19-16(22)14-7-5-6-13(12-14)10-11-20-17(18)21-15-8-3-2-4-9-15;/h5-7,12,15H,2-4,8-11H2,1H3,(H,19,22)(H3,18,20,21);1H
InChIKeyFUEVWPAVVMAKHF-UHFFFAOYSA-N
MW430.33 g/mol
LogP2.44
Rot. Bonds5

About 3-[2-[[amino-(cyclohexylamino)methylidene]amino]ethyl]-N-methylbenzamide;hydroiodide

3-[2-[[amino-(cyclohexylamino)methylidene]amino]ethyl]-N-methylbenzamide;hydroiodide (PubChem CID 111631963) has the molecular formula C17H27IN4O and a molecular weight of 430.33 g/mol. Its IUPAC name is 3-[2-[[amino-(cyclohexylamino)methylidene]amino]ethyl]-N-methylbenzamide;hydroiodide.

Molecular Properties

Compound Name3-[2-[[amino-(cyclohexylamino)methylidene]amino]ethyl]-N-methylbenzamide;hydroiodide
PubChem CID111631963
Molecular FormulaC17H27IN4O
Molecular Weight430.33 g/mol
Exact Mass430.12
IUPAC Name3-[2-[[amino-(cyclohexylamino)methylidene]amino]ethyl]-N-methylbenzamide;hydroiodide
SMILESCNC(=O)c1cccc(CC/N=C(\N)NC2CCCCC2)c1.I
InChIInChI=1S/C17H26N4O.HI/c1-19-16(22)14-7-5-6-13(12-14)10-11-20-17(18)21-15-8-3-2-4-9-15;/h5-7,12,15H,2-4,8-11H2,1H3,(H,19,22)(H3,18,20,21);1H
InChIKeyFUEVWPAVVMAKHF-UHFFFAOYSA-N
XLogP2.44
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.33
LogP ≤ 52.44
H-Bond Donors ≤ 53
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'}

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Related Compounds

3-[2-[[(cyclopropylamino)-(ethylamino)methylidene]amino]ethyl]-N-methylbenzamide;hydroiodide
CID 75424046
1-cyclohexyl-2-(2-phenylethyl)guanidine
CID 62364481
3-(2-aminoethyl)-N-cyclohexylbenzamide
CID 62591538
3-[2-[(N-cyclopentyl-N'-methylcarbamimidoyl)amino]ethyl]-N-methylbenzamide;hydroiodide
CID 111771281
3-[2-[[amino-(2,3-dihydro-1H-inden-5-ylamino)methylidene]amino]ethyl]-N-methylbenzamide
CID 111817606
3-[2-[[ethylamino-[(4-hydroxycyclohexyl)amino]methylidene]amino]ethyl]-N-methylbenzamide
CID 111979205
3-[2-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]ethyl]-N-methylbenzamide
CID 111817572
3-[2-[[N-cyclohexyl-N'-[2-(dimethylamino)-2-oxoethyl]carbamimidoyl]amino]ethyl]-N-methylbenzamide
CID 111634031
3-[2-[[amino-(1-methoxypropan-2-ylamino)methylidene]amino]ethyl]-N-methylbenzamide
CID 111817584
3-[2-[[amino-(3,4-dimethoxyanilino)methylidene]amino]ethyl]-N-methylbenzamide
CID 111817596
1-cyclohexyl-2-[2-(3,5-difluorophenyl)ethyl]guanidine
CID 62615976
3-[2-[(N'-hexylcarbamimidoyl)amino]ethyl]-N-methylbenzamide;hydroiodide
CID 111817647

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[amino-(cyclohexylamino)methylidene]amino]ethyl]-N-methylbenzamide;hydroiodide?
The IUPAC name of 3-[2-[[amino-(cyclohexylamino)methylidene]amino]ethyl]-N-methylbenzamide;hydroiodide (CID 111631963) is 3-[2-[[amino-(cyclohexylamino)methylidene]amino]ethyl]-N-methylbenzamide;hydroiodide.
What is the SMILES notation for 3-[2-[[amino-(cyclohexylamino)methylidene]amino]ethyl]-N-methylbenzamide;hydroiodide?
The canonical SMILES for 3-[2-[[amino-(cyclohexylamino)methylidene]amino]ethyl]-N-methylbenzamide;hydroiodide is CNC(=O)c1cccc(CC/N=C(\N)NC2CCCCC2)c1.I.
What is the InChIKey of 3-[2-[[amino-(cyclohexylamino)methylidene]amino]ethyl]-N-methylbenzamide;hydroiodide?
The InChIKey is FUEVWPAVVMAKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O.HI/c1-19-16(22)14-7-5-6-13(12-14)10-11-20-17(18)21-15-8-3-2-4-9-15;/h5-7,12,15H,2-4,8-11H2,1H3,(H,19,22)(H3,18,20,21);1H.
What are the key properties of 3-[2-[[amino-(cyclohexylamino)methylidene]amino]ethyl]-N-methylbenzamide;hydroiodide?
3-[2-[[amino-(cyclohexylamino)methylidene]amino]ethyl]-N-methylbenzamide;hydroiodide has a molecular weight of 430.33 g/mol, XLogP of 2.44, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[amino-(cyclohexylamino)methylidene]amino]ethyl]-N-methylbenzamide;hydroiodide is sourced from PubChem (CID 111631963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).