4-[[[amino-(cyclohexylamino)methylidene]amino]methyl]benzamide

C15H22N4O — CID 111030194

IUPAC4-[[[amino-(cyclohexylamino)methylidene]amino]methyl]benzamide
SMILESNC(=O)c1ccc(C/N=C(\N)NC2CCCCC2)cc1
InChIInChI=1S/C15H22N4O/c16-14(20)12-8-6-11(7-9-12)10-18-15(17)19-13-4-2-1-3-5-13/h6-9,13H,1-5,10H2,(H2,16,20)(H3,17,18,19)
InChIKeyAZEHKNIUBQJMFU-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.52
Rot. Bonds4

About 4-[[[amino-(cyclohexylamino)methylidene]amino]methyl]benzamide

4-[[[amino-(cyclohexylamino)methylidene]amino]methyl]benzamide (PubChem CID 111030194) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 4-[[[amino-(cyclohexylamino)methylidene]amino]methyl]benzamide.

Molecular Properties

Compound Name4-[[[amino-(cyclohexylamino)methylidene]amino]methyl]benzamide
PubChem CID111030194
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name4-[[[amino-(cyclohexylamino)methylidene]amino]methyl]benzamide
SMILESNC(=O)c1ccc(C/N=C(\N)NC2CCCCC2)cc1
InChIInChI=1S/C15H22N4O/c16-14(20)12-8-6-11(7-9-12)10-18-15(17)19-13-4-2-1-3-5-13/h6-9,13H,1-5,10H2,(H2,16,20)(H3,17,18,19)
InChIKeyAZEHKNIUBQJMFU-UHFFFAOYSA-N
XLogP1.52
TPSA93.50 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.52
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'}

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Related Compounds

2-[(4-tert-butylphenyl)methyl]-1-cyclohexylguanidine;hydrochloride
CID 14853437
4-[[[amino-(cyclopropylamino)methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide
CID 110914653
1-cyclohexyl-2-[[4-(cyclopropylsulfamoyl)phenyl]methyl]guanidine;hydroiodide
CID 111072198
1-cyclohexyl-2-[[4-(dimethylsulfamoyl)phenyl]methyl]guanidine
CID 111071863
1-cyclohexyl-2-[(3,4-difluorophenyl)methyl]guanidine
CID 62369891
1-cyclohexyl-2-(2,3-dihydro-1H-inden-5-ylmethyl)guanidine;hydroiodide
CID 111071207
2-[(6-chloro-3-pyridinyl)methyl]-1-cyclohexylguanidine;hydroiodide
CID 111041906
4-[[[(cyclopropylamino)-(ethylamino)methylidene]amino]methyl]benzamide;hydroiodide
CID 110988661
N-[3-[[[amino-(cyclohexylamino)methylidene]amino]methyl]phenyl]cyclobutanecarboxamide;hydroiodide
CID 111046818
1-cyclohexyl-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine
CID 111063308
1-cyclopropyl-2-[(4-methylsulfonylphenyl)methyl]guanidine
CID 62364011
1-cyclohexyl-2-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 111047313

Frequently Asked Questions

What is the IUPAC name of 4-[[[amino-(cyclohexylamino)methylidene]amino]methyl]benzamide?
The IUPAC name of 4-[[[amino-(cyclohexylamino)methylidene]amino]methyl]benzamide (CID 111030194) is 4-[[[amino-(cyclohexylamino)methylidene]amino]methyl]benzamide.
What is the SMILES notation for 4-[[[amino-(cyclohexylamino)methylidene]amino]methyl]benzamide?
The canonical SMILES for 4-[[[amino-(cyclohexylamino)methylidene]amino]methyl]benzamide is NC(=O)c1ccc(C/N=C(\N)NC2CCCCC2)cc1.
What is the InChIKey of 4-[[[amino-(cyclohexylamino)methylidene]amino]methyl]benzamide?
The InChIKey is AZEHKNIUBQJMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c16-14(20)12-8-6-11(7-9-12)10-18-15(17)19-13-4-2-1-3-5-13/h6-9,13H,1-5,10H2,(H2,16,20)(H3,17,18,19).
What are the key properties of 4-[[[amino-(cyclohexylamino)methylidene]amino]methyl]benzamide?
4-[[[amino-(cyclohexylamino)methylidene]amino]methyl]benzamide has a molecular weight of 274.37 g/mol, XLogP of 1.52, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[amino-(cyclohexylamino)methylidene]amino]methyl]benzamide is sourced from PubChem (CID 111030194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).