3-amino-1-cyclohexyl-1,2-dimethylguanidine

C9H20N4 — CID 104881953

IUPAC3-amino-1-cyclohexyl-1,2-dimethylguanidine
SMILESC/N=C(\NN)N(C)C1CCCCC1
InChIInChI=1S/C9H20N4/c1-11-9(12-10)13(2)8-6-4-3-5-7-8/h8H,3-7,10H2,1-2H3,(H,11,12)
InChIKeyAJNGSVOEPMXXKA-UHFFFAOYSA-N
MW184.29 g/mol
LogP0.70
Rot. Bonds1

About 3-amino-1-cyclohexyl-1,2-dimethylguanidine

3-amino-1-cyclohexyl-1,2-dimethylguanidine (PubChem CID 104881953) has the molecular formula C9H20N4 and a molecular weight of 184.29 g/mol. Its IUPAC name is 3-amino-1-cyclohexyl-1,2-dimethylguanidine.

Molecular Properties

Compound Name3-amino-1-cyclohexyl-1,2-dimethylguanidine
PubChem CID104881953
Molecular FormulaC9H20N4
Molecular Weight184.29 g/mol
Exact Mass184.17
IUPAC Name3-amino-1-cyclohexyl-1,2-dimethylguanidine
SMILESC/N=C(\NN)N(C)C1CCCCC1
InChIInChI=1S/C9H20N4/c1-11-9(12-10)13(2)8-6-4-3-5-7-8/h8H,3-7,10H2,1-2H3,(H,11,12)
InChIKeyAJNGSVOEPMXXKA-UHFFFAOYSA-N
XLogP0.70
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.29
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-Amino-2-cyclohexyl-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884426
3-Amino-2-cyclohexyl-1-cyclopropyl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884458
3-Amino-2-cyclohexyl-1-propyl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884479
3-Amino-2-cyclohexyl-1-methyl-1-(3,3,3-trifluoropropyl)guanidine
CID 104887040
3-Amino-2-cyclohexyl-1-(2,2-difluoroethyl)-1-methylguanidine
CID 104888978
3-Amino-2-cyclohexyl-1-methyl-1-(2,2,2-trifluoroethyl)guanidine
CID 113530141
3-Amino-2-cyclohexyl-1-ethyl-1-(2,2,2-trifluoroethyl)guanidine
CID 113530246
[4-[(N-amino-N'-methylcarbamimidoyl)amino]cyclohexyl]-trimethylazanium chloride
CID 17968546
[4-[(N-amino-N'-methylcarbamimidoyl)amino]cyclohexyl]-trimethylazanium
CID 17968547
3-Amino-1-(4-aminocyclohexyl)-1,2-dimethylguanidine
CID 17968550
[4-[[Amino-[amino(methyl)amino]methylidene]amino]cyclohexyl]-trimethylazanium chloride
CID 17968555
[4-[[Amino-[amino(methyl)amino]methylidene]amino]cyclohexyl]-trimethylazanium
CID 17968556

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-cyclohexyl-1,2-dimethylguanidine?
The IUPAC name of 3-amino-1-cyclohexyl-1,2-dimethylguanidine (CID 104881953) is 3-amino-1-cyclohexyl-1,2-dimethylguanidine.
What is the SMILES notation for 3-amino-1-cyclohexyl-1,2-dimethylguanidine?
The canonical SMILES for 3-amino-1-cyclohexyl-1,2-dimethylguanidine is C/N=C(\NN)N(C)C1CCCCC1.
What is the InChIKey of 3-amino-1-cyclohexyl-1,2-dimethylguanidine?
The InChIKey is AJNGSVOEPMXXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4/c1-11-9(12-10)13(2)8-6-4-3-5-7-8/h8H,3-7,10H2,1-2H3,(H,11,12).
What are the key properties of 3-amino-1-cyclohexyl-1,2-dimethylguanidine?
3-amino-1-cyclohexyl-1,2-dimethylguanidine has a molecular weight of 184.29 g/mol, XLogP of 0.70, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-cyclohexyl-1,2-dimethylguanidine is sourced from PubChem (CID 104881953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).