1-amino-3-(2-cyclohexyloxyethyl)-2-methylguanidine

C10H22N4O — CID 104882246

IUPAC1-amino-3-(2-cyclohexyloxyethyl)-2-methylguanidine
SMILESC/N=C(\NN)NCCOC1CCCCC1
InChIInChI=1S/C10H22N4O/c1-12-10(14-11)13-7-8-15-9-5-3-2-4-6-9/h9H,2-8,11H2,1H3,(H2,12,13,14)
InChIKeyGWXJONZZAZKSRZ-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.37
Rot. Bonds4

About 1-amino-3-(2-cyclohexyloxyethyl)-2-methylguanidine

1-amino-3-(2-cyclohexyloxyethyl)-2-methylguanidine (PubChem CID 104882246) has the molecular formula C10H22N4O and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-amino-3-(2-cyclohexyloxyethyl)-2-methylguanidine.

Molecular Properties

Compound Name1-amino-3-(2-cyclohexyloxyethyl)-2-methylguanidine
PubChem CID104882246
Molecular FormulaC10H22N4O
Molecular Weight214.31 g/mol
Exact Mass214.18
IUPAC Name1-amino-3-(2-cyclohexyloxyethyl)-2-methylguanidine
SMILESC/N=C(\NN)NCCOC1CCCCC1
InChIInChI=1S/C10H22N4O/c1-12-10(14-11)13-7-8-15-9-5-3-2-4-6-9/h9H,2-8,11H2,1H3,(H2,12,13,14)
InChIKeyGWXJONZZAZKSRZ-UHFFFAOYSA-N
XLogP0.37
TPSA71.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 1-amino-3-(2-cyclohexyloxyethyl)-2-methylguanidine?
The IUPAC name of 1-amino-3-(2-cyclohexyloxyethyl)-2-methylguanidine (CID 104882246) is 1-amino-3-(2-cyclohexyloxyethyl)-2-methylguanidine.
What is the SMILES notation for 1-amino-3-(2-cyclohexyloxyethyl)-2-methylguanidine?
The canonical SMILES for 1-amino-3-(2-cyclohexyloxyethyl)-2-methylguanidine is C/N=C(\NN)NCCOC1CCCCC1.
What is the InChIKey of 1-amino-3-(2-cyclohexyloxyethyl)-2-methylguanidine?
The InChIKey is GWXJONZZAZKSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O/c1-12-10(14-11)13-7-8-15-9-5-3-2-4-6-9/h9H,2-8,11H2,1H3,(H2,12,13,14).
What are the key properties of 1-amino-3-(2-cyclohexyloxyethyl)-2-methylguanidine?
1-amino-3-(2-cyclohexyloxyethyl)-2-methylguanidine has a molecular weight of 214.31 g/mol, XLogP of 0.37, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(2-cyclohexyloxyethyl)-2-methylguanidine is sourced from PubChem (CID 104882246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).