1-[[4-[cyclohexyl(methyl)amino]phenyl]methyl]-2,3-dimethylguanidine

C17H28N4 — CID 110920438

IUPAC1-[[4-[cyclohexyl(methyl)amino]phenyl]methyl]-2,3-dimethylguanidine
SMILESC/N=C(\NC)NCc1ccc(N(C)C2CCCCC2)cc1
InChIInChI=1S/C17H28N4/c1-18-17(19-2)20-13-14-9-11-16(12-10-14)21(3)15-7-5-4-6-8-15/h9-12,15H,4-8,13H2,1-3H3,(H2,18,19,20)
InChIKeyZPTJZWAJKMUXBO-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.75
Rot. Bonds4

About 1-[[4-[cyclohexyl(methyl)amino]phenyl]methyl]-2,3-dimethylguanidine

1-[[4-[cyclohexyl(methyl)amino]phenyl]methyl]-2,3-dimethylguanidine (PubChem CID 110920438) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is 1-[[4-[cyclohexyl(methyl)amino]phenyl]methyl]-2,3-dimethylguanidine.

Molecular Properties

Compound Name1-[[4-[cyclohexyl(methyl)amino]phenyl]methyl]-2,3-dimethylguanidine
PubChem CID110920438
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC Name1-[[4-[cyclohexyl(methyl)amino]phenyl]methyl]-2,3-dimethylguanidine
SMILESC/N=C(\NC)NCc1ccc(N(C)C2CCCCC2)cc1
InChIInChI=1S/C17H28N4/c1-18-17(19-2)20-13-14-9-11-16(12-10-14)21(3)15-7-5-4-6-8-15/h9-12,15H,4-8,13H2,1-3H3,(H2,18,19,20)
InChIKeyZPTJZWAJKMUXBO-UHFFFAOYSA-N
XLogP2.75
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-[[4-[cyclohexyl(methyl)amino]phenyl]methyl]-2-methyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111317315
1,2-dimethyl-3-[[4-(trifluoromethyl)phenyl]methyl]guanidine
CID 110913448
1-(3-cyclohexyloxypropyl)-3-[[4-(dimethylamino)phenyl]methyl]-2-methylguanidine
CID 111398241
N-[[4-[cyclohexyl(methyl)amino]phenyl]methyl]-N'-methyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111740585
4-[[[N-[3-[cyclohexyl(methyl)amino]propyl]-N'-methylcarbamimidoyl]amino]methyl]-N,N-dimethylbenzamide;hydroiodide
CID 111874688
1,2-dimethyl-3-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]guanidine
CID 51116821
1,2-dimethyl-3-[[4-(piperidine-1-carbonyl)phenyl]methyl]guanidine;hydroiodide
CID 110918753
1-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-2,3-dimethylguanidine;hydroiodide
CID 110917458
1-(1,3-benzodioxol-5-ylmethyl)-3-[2-[cyclohexyl(methyl)amino]ethyl]-2-methylguanidine
CID 111843836
1-[[4-(dimethylamino)phenyl]methyl]-2-methyl-3-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111139408
1,2-dimethyl-3-[[4-(2-methylpropoxy)phenyl]methyl]guanidine
CID 110913272
N-[[4-[cyclohexyl(methyl)amino]phenyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 56799710

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[cyclohexyl(methyl)amino]phenyl]methyl]-2,3-dimethylguanidine?
The IUPAC name of 1-[[4-[cyclohexyl(methyl)amino]phenyl]methyl]-2,3-dimethylguanidine (CID 110920438) is 1-[[4-[cyclohexyl(methyl)amino]phenyl]methyl]-2,3-dimethylguanidine.
What is the SMILES notation for 1-[[4-[cyclohexyl(methyl)amino]phenyl]methyl]-2,3-dimethylguanidine?
The canonical SMILES for 1-[[4-[cyclohexyl(methyl)amino]phenyl]methyl]-2,3-dimethylguanidine is C/N=C(\NC)NCc1ccc(N(C)C2CCCCC2)cc1.
What is the InChIKey of 1-[[4-[cyclohexyl(methyl)amino]phenyl]methyl]-2,3-dimethylguanidine?
The InChIKey is ZPTJZWAJKMUXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-18-17(19-2)20-13-14-9-11-16(12-10-14)21(3)15-7-5-4-6-8-15/h9-12,15H,4-8,13H2,1-3H3,(H2,18,19,20).
What are the key properties of 1-[[4-[cyclohexyl(methyl)amino]phenyl]methyl]-2,3-dimethylguanidine?
1-[[4-[cyclohexyl(methyl)amino]phenyl]methyl]-2,3-dimethylguanidine has a molecular weight of 288.44 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[cyclohexyl(methyl)amino]phenyl]methyl]-2,3-dimethylguanidine is sourced from PubChem (CID 110920438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).