1-amino-3-cyclobutyl-2-cyclohexylguanidine

C11H22N4 — CID 104882648

IUPAC1-amino-3-cyclobutyl-2-cyclohexylguanidine
SMILESNN/C(=N\C1CCCCC1)NC1CCC1
InChIInChI=1S/C11H22N4/c12-15-11(14-10-7-4-8-10)13-9-5-2-1-3-6-9/h9-10H,1-8,12H2,(H2,13,14,15)
InChIKeySKTQYXHJZZSQIH-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.28
Rot. Bonds2

About 1-amino-3-cyclobutyl-2-cyclohexylguanidine

1-amino-3-cyclobutyl-2-cyclohexylguanidine (PubChem CID 104882648) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-amino-3-cyclobutyl-2-cyclohexylguanidine.

Molecular Properties

Compound Name1-amino-3-cyclobutyl-2-cyclohexylguanidine
PubChem CID104882648
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC Name1-amino-3-cyclobutyl-2-cyclohexylguanidine
SMILESNN/C(=N\C1CCCCC1)NC1CCC1
InChIInChI=1S/C11H22N4/c12-15-11(14-10-7-4-8-10)13-9-5-2-1-3-6-9/h9-10H,1-8,12H2,(H2,13,14,15)
InChIKeySKTQYXHJZZSQIH-UHFFFAOYSA-N
XLogP1.28
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.28
H-Bond Donors ≤ 53
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

1-Amino-3-cyclohexyl-2-(2,2,2-trifluoroethyl)guanidine
CID 104883043
1-Amino-3-cyclohexyl-2-(2,2-difluoroethyl)guanidine
CID 104887788
1-Amino-3-cyclohexyl-2-(4,4,4-trifluorobutyl)guanidine
CID 104888053
1-Amino-3-cyclohexyl-2-(5,5,5-trifluoropentyl)guanidine
CID 104888074
1-Amino-2-cyclohexyl-3-(4,4,4-trifluorobutan-2-yl)guanidine
CID 105937749
1-Amino-3-cyclohexyl-2-(2,2,3,3-tetrafluoropropyl)guanidine
CID 106296451
1-Amino-3-cyclohexyl-2-(3,3,3-trifluoropropyl)guanidine
CID 113530777
1-Amino-3-(4,4-difluorocyclohexyl)-2-methylguanidine
CID 131052493
1-Amino-3-(2,2-difluorocyclohexyl)-2-methylguanidine
CID 131097772
1-Amino-2,3-dicyclohexylguanidine
CID 9816156
[4-[(N-amino-N'-methylcarbamimidoyl)amino]cyclohexyl]-trimethylazanium chloride
CID 17968546
[4-[(N-amino-N'-methylcarbamimidoyl)amino]cyclohexyl]-trimethylazanium
CID 17968547

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-cyclobutyl-2-cyclohexylguanidine?
The IUPAC name of 1-amino-3-cyclobutyl-2-cyclohexylguanidine (CID 104882648) is 1-amino-3-cyclobutyl-2-cyclohexylguanidine.
What is the SMILES notation for 1-amino-3-cyclobutyl-2-cyclohexylguanidine?
The canonical SMILES for 1-amino-3-cyclobutyl-2-cyclohexylguanidine is NN/C(=N\C1CCCCC1)NC1CCC1.
What is the InChIKey of 1-amino-3-cyclobutyl-2-cyclohexylguanidine?
The InChIKey is SKTQYXHJZZSQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4/c12-15-11(14-10-7-4-8-10)13-9-5-2-1-3-6-9/h9-10H,1-8,12H2,(H2,13,14,15).
What are the key properties of 1-amino-3-cyclobutyl-2-cyclohexylguanidine?
1-amino-3-cyclobutyl-2-cyclohexylguanidine has a molecular weight of 210.32 g/mol, XLogP of 1.28, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-cyclobutyl-2-cyclohexylguanidine is sourced from PubChem (CID 104882648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).