3-amino-2-cyclohexyl-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]guanidine

C13H24N6 — CID 104885302

IUPAC3-amino-2-cyclohexyl-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]guanidine
SMILESCN(Cc1cnn(C)c1)/C(=N/C1CCCCC1)NN
InChIInChI=1S/C13H24N6/c1-18(9-11-8-15-19(2)10-11)13(17-14)16-12-6-4-3-5-7-12/h8,10,12H,3-7,9,14H2,1-2H3,(H,16,17)
InChIKeyFQCHSIIQGPQRPU-UHFFFAOYSA-N
MW264.38 g/mol
LogP1.00
Rot. Bonds3

About 3-amino-2-cyclohexyl-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]guanidine

3-amino-2-cyclohexyl-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]guanidine (PubChem CID 104885302) has the molecular formula C13H24N6 and a molecular weight of 264.38 g/mol. Its IUPAC name is 3-amino-2-cyclohexyl-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]guanidine.

Molecular Properties

Compound Name3-amino-2-cyclohexyl-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]guanidine
PubChem CID104885302
Molecular FormulaC13H24N6
Molecular Weight264.38 g/mol
Exact Mass264.21
IUPAC Name3-amino-2-cyclohexyl-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]guanidine
SMILESCN(Cc1cnn(C)c1)/C(=N/C1CCCCC1)NN
InChIInChI=1S/C13H24N6/c1-18(9-11-8-15-19(2)10-11)13(17-14)16-12-6-4-3-5-7-12/h8,10,12H,3-7,9,14H2,1-2H3,(H,16,17)
InChIKeyFQCHSIIQGPQRPU-UHFFFAOYSA-N
XLogP1.00
TPSA71.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.38
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-cyclohexyl-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]thiourea
CID 113218694
3-amino-2-cyclohexyl-1-(cyclopropylmethyl)-1-methylguanidine
CID 104884329
3-[(2-hydroxy-1-methylcyclohexyl)methyl]-1,2-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]guanidine
CID 119156908
1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 60703151
N'-cyclohexyl-N'-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine
CID 62127404
2-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 3361482
2-cyclohexyl-1-(1-methylpyrazol-4-yl)guanidine
CID 62364515
3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propanehydrazide
CID 63583505
1-cyclohexyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol
CID 104752674
3-amino-1-(cyclopentylmethyl)-2-cyclopropyl-1-methylguanidine
CID 104886066
3-[(1-acetylpiperidin-4-yl)methyl]-1,2-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]guanidine
CID 119156772
2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cyclohexan-1-amine
CID 62617070

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-cyclohexyl-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]guanidine?
The IUPAC name of 3-amino-2-cyclohexyl-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]guanidine (CID 104885302) is 3-amino-2-cyclohexyl-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]guanidine.
What is the SMILES notation for 3-amino-2-cyclohexyl-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]guanidine?
The canonical SMILES for 3-amino-2-cyclohexyl-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]guanidine is CN(Cc1cnn(C)c1)/C(=N/C1CCCCC1)NN.
What is the InChIKey of 3-amino-2-cyclohexyl-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]guanidine?
The InChIKey is FQCHSIIQGPQRPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N6/c1-18(9-11-8-15-19(2)10-11)13(17-14)16-12-6-4-3-5-7-12/h8,10,12H,3-7,9,14H2,1-2H3,(H,16,17).
What are the key properties of 3-amino-2-cyclohexyl-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]guanidine?
3-amino-2-cyclohexyl-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]guanidine has a molecular weight of 264.38 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-cyclohexyl-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]guanidine is sourced from PubChem (CID 104885302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).