1-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methyl-3-[(2-methylpyrazol-3-yl)methyl]guanidine

C17H32N6 — CID 111955351

IUPAC1-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methyl-3-[(2-methylpyrazol-3-yl)methyl]guanidine
SMILESC/N=C(\NCc1ccnn1C)NCC1(N(C)C)CCCC(C)C1
InChIInChI=1S/C17H32N6/c1-14-7-6-9-17(11-14,22(3)4)13-20-16(18-2)19-12-15-8-10-21-23(15)5/h8,10,14H,6-7,9,11-13H2,1-5H3,(H2,18,19,20)
InChIKeyCJJSOSDPPVZWCH-UHFFFAOYSA-N
MW320.49 g/mol
LogP1.60
Rot. Bonds5

About 1-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methyl-3-[(2-methylpyrazol-3-yl)methyl]guanidine

1-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methyl-3-[(2-methylpyrazol-3-yl)methyl]guanidine (PubChem CID 111955351) has the molecular formula C17H32N6 and a molecular weight of 320.49 g/mol. Its IUPAC name is 1-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methyl-3-[(2-methylpyrazol-3-yl)methyl]guanidine.

Molecular Properties

Compound Name1-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methyl-3-[(2-methylpyrazol-3-yl)methyl]guanidine
PubChem CID111955351
Molecular FormulaC17H32N6
Molecular Weight320.49 g/mol
Exact Mass320.27
IUPAC Name1-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methyl-3-[(2-methylpyrazol-3-yl)methyl]guanidine
SMILESC/N=C(\NCc1ccnn1C)NCC1(N(C)C)CCCC(C)C1
InChIInChI=1S/C17H32N6/c1-14-7-6-9-17(11-14,22(3)4)13-20-16(18-2)19-12-15-8-10-21-23(15)5/h8,10,14H,6-7,9,11-13H2,1-5H3,(H2,18,19,20)
InChIKeyCJJSOSDPPVZWCH-UHFFFAOYSA-N
XLogP1.60
TPSA57.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.49
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

1-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methyl-3-(thiophen-3-ylmethyl)guanidine;hydroiodide
CID 111940452
1-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methylguanidine
CID 109431211
1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[(2-methylpyrazol-3-yl)methyl]guanidine
CID 109470066
1-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methyl-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]guanidine;hydroiodide
CID 111553594
1-[[(2-ethylpyrazol-3-yl)methylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 115762055
2-methyl-1-[(1-methylpiperidin-4-yl)methyl]-3-[(2-methylpyrazol-3-yl)methyl]guanidine
CID 111955773
1-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3-(2-methoxy-2-methylpropyl)-2-methylguanidine
CID 111608023
1-(2-cyclopropylethyl)-2-methyl-3-[(2-methylpyrazol-3-yl)methyl]guanidine
CID 111604969
1-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3-(3-hydroxy-2-phenylpropyl)-2-methylguanidine
CID 109410047
2-methyl-1-[(1-methylpiperidin-4-yl)methyl]-3-[(2-methylpyrazol-3-yl)methyl]guanidine;hydroiodide
CID 111955772
1-(2,2-dicyclopropylethyl)-2-methyl-3-[(2-methylpyrazol-3-yl)methyl]guanidine;hydroiodide
CID 111691019
2-methyl-1-[(2-methylpyrazol-3-yl)methyl]-3-[(1-methylpyrrolidin-2-yl)methyl]guanidine
CID 111956101

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methyl-3-[(2-methylpyrazol-3-yl)methyl]guanidine?
The IUPAC name of 1-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methyl-3-[(2-methylpyrazol-3-yl)methyl]guanidine (CID 111955351) is 1-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methyl-3-[(2-methylpyrazol-3-yl)methyl]guanidine.
What is the SMILES notation for 1-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methyl-3-[(2-methylpyrazol-3-yl)methyl]guanidine?
The canonical SMILES for 1-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methyl-3-[(2-methylpyrazol-3-yl)methyl]guanidine is C/N=C(\NCc1ccnn1C)NCC1(N(C)C)CCCC(C)C1.
What is the InChIKey of 1-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methyl-3-[(2-methylpyrazol-3-yl)methyl]guanidine?
The InChIKey is CJJSOSDPPVZWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N6/c1-14-7-6-9-17(11-14,22(3)4)13-20-16(18-2)19-12-15-8-10-21-23(15)5/h8,10,14H,6-7,9,11-13H2,1-5H3,(H2,18,19,20).
What are the key properties of 1-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methyl-3-[(2-methylpyrazol-3-yl)methyl]guanidine?
1-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methyl-3-[(2-methylpyrazol-3-yl)methyl]guanidine has a molecular weight of 320.49 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methyl-3-[(2-methylpyrazol-3-yl)methyl]guanidine is sourced from PubChem (CID 111955351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).