3-amino-1-cyclohexyl-1-ethyl-2-methylguanidine

C10H22N4 — CID 104881955

IUPAC3-amino-1-cyclohexyl-1-ethyl-2-methylguanidine
SMILESCCN(/C(=N/C)NN)C1CCCCC1
InChIInChI=1S/C10H22N4/c1-3-14(10(12-2)13-11)9-7-5-4-6-8-9/h9H,3-8,11H2,1-2H3,(H,12,13)
InChIKeyVWVURDFHMFSMHI-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.09
Rot. Bonds2

About 3-amino-1-cyclohexyl-1-ethyl-2-methylguanidine

3-amino-1-cyclohexyl-1-ethyl-2-methylguanidine (PubChem CID 104881955) has the molecular formula C10H22N4 and a molecular weight of 198.31 g/mol. Its IUPAC name is 3-amino-1-cyclohexyl-1-ethyl-2-methylguanidine.

Molecular Properties

Compound Name3-amino-1-cyclohexyl-1-ethyl-2-methylguanidine
PubChem CID104881955
Molecular FormulaC10H22N4
Molecular Weight198.31 g/mol
Exact Mass198.18
IUPAC Name3-amino-1-cyclohexyl-1-ethyl-2-methylguanidine
SMILESCCN(/C(=N/C)NN)C1CCCCC1
InChIInChI=1S/C10H22N4/c1-3-14(10(12-2)13-11)9-7-5-4-6-8-9/h9H,3-8,11H2,1-2H3,(H,12,13)
InChIKeyVWVURDFHMFSMHI-UHFFFAOYSA-N
XLogP1.09
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.09
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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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-cyclohexyl-1-ethyl-2-methylguanidine?
The IUPAC name of 3-amino-1-cyclohexyl-1-ethyl-2-methylguanidine (CID 104881955) is 3-amino-1-cyclohexyl-1-ethyl-2-methylguanidine.
What is the SMILES notation for 3-amino-1-cyclohexyl-1-ethyl-2-methylguanidine?
The canonical SMILES for 3-amino-1-cyclohexyl-1-ethyl-2-methylguanidine is CCN(/C(=N/C)NN)C1CCCCC1.
What is the InChIKey of 3-amino-1-cyclohexyl-1-ethyl-2-methylguanidine?
The InChIKey is VWVURDFHMFSMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4/c1-3-14(10(12-2)13-11)9-7-5-4-6-8-9/h9H,3-8,11H2,1-2H3,(H,12,13).
What are the key properties of 3-amino-1-cyclohexyl-1-ethyl-2-methylguanidine?
3-amino-1-cyclohexyl-1-ethyl-2-methylguanidine has a molecular weight of 198.31 g/mol, XLogP of 1.09, 2 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-ethyl-2-methylguanidine is sourced from PubChem (CID 104881955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).