3-amino-2-cyclohexyl-1-(2-ethoxyethyl)-1-methylguanidine

C12H26N4O — CID 104887487

IUPAC3-amino-2-cyclohexyl-1-(2-ethoxyethyl)-1-methylguanidine
SMILESCCOCCN(C)/C(=N\C1CCCCC1)NN
InChIInChI=1S/C12H26N4O/c1-3-17-10-9-16(2)12(15-13)14-11-7-5-4-6-8-11/h11H,3-10,13H2,1-2H3,(H,14,15)
InChIKeyKLJSQRAWMFFTIO-UHFFFAOYSA-N
MW242.37 g/mol
LogP1.11
Rot. Bonds5

About 3-amino-2-cyclohexyl-1-(2-ethoxyethyl)-1-methylguanidine

3-amino-2-cyclohexyl-1-(2-ethoxyethyl)-1-methylguanidine (PubChem CID 104887487) has the molecular formula C12H26N4O and a molecular weight of 242.37 g/mol. Its IUPAC name is 3-amino-2-cyclohexyl-1-(2-ethoxyethyl)-1-methylguanidine.

Molecular Properties

Compound Name3-amino-2-cyclohexyl-1-(2-ethoxyethyl)-1-methylguanidine
PubChem CID104887487
Molecular FormulaC12H26N4O
Molecular Weight242.37 g/mol
Exact Mass242.21
IUPAC Name3-amino-2-cyclohexyl-1-(2-ethoxyethyl)-1-methylguanidine
SMILESCCOCCN(C)/C(=N\C1CCCCC1)NN
InChIInChI=1S/C12H26N4O/c1-3-17-10-9-16(2)12(15-13)14-11-7-5-4-6-8-11/h11H,3-10,13H2,1-2H3,(H,14,15)
InChIKeyKLJSQRAWMFFTIO-UHFFFAOYSA-N
XLogP1.11
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 51.11
H-Bond Donors ≤ 52
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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Related Compounds

3-amino-2-cyclohexyl-1-(2-methoxyethyl)-1-methylguanidine
CID 104885414
3-amino-2-cyclopentyl-1-(3-methoxypropyl)-1-methylguanidine
CID 104885884
3-amino-2-cyclopropyl-1-(2-ethoxyethyl)-1-ethylguanidine
CID 104886056
3-amino-2-cyclohexyl-1-methyl-1-(3,3,3-trifluoropropyl)guanidine
CID 104887040
3-amino-2-cyclohexyl-1-(cyclopropylmethyl)-1-methylguanidine
CID 104884329
3-amino-2-cyclohexyl-1,1-dimethylguanidine
CID 104883392
3-amino-2-cyclopentyl-1-(2,2-dimethylpropyl)-1-methylguanidine
CID 104885238
3-amino-2-cyclopentyl-1-methyl-1-(2-methylbutyl)guanidine
CID 104883686
3-amino-1-(cyclopentylmethyl)-2-cyclopropyl-1-methylguanidine
CID 104886066
3-amino-1-(2-ethoxyethyl)-2-(2-methoxyethyl)-1-methylguanidine
CID 104887493
3-amino-2-cyclopropyl-1-methyl-1-(3,3,3-trifluoropropyl)guanidine
CID 104887044
3-amino-1-(2-ethoxyethyl)-2-(1-methoxypropan-2-yl)-1-methylguanidine
CID 104887482

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-cyclohexyl-1-(2-ethoxyethyl)-1-methylguanidine?
The IUPAC name of 3-amino-2-cyclohexyl-1-(2-ethoxyethyl)-1-methylguanidine (CID 104887487) is 3-amino-2-cyclohexyl-1-(2-ethoxyethyl)-1-methylguanidine.
What is the SMILES notation for 3-amino-2-cyclohexyl-1-(2-ethoxyethyl)-1-methylguanidine?
The canonical SMILES for 3-amino-2-cyclohexyl-1-(2-ethoxyethyl)-1-methylguanidine is CCOCCN(C)/C(=N\C1CCCCC1)NN.
What is the InChIKey of 3-amino-2-cyclohexyl-1-(2-ethoxyethyl)-1-methylguanidine?
The InChIKey is KLJSQRAWMFFTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O/c1-3-17-10-9-16(2)12(15-13)14-11-7-5-4-6-8-11/h11H,3-10,13H2,1-2H3,(H,14,15).
What are the key properties of 3-amino-2-cyclohexyl-1-(2-ethoxyethyl)-1-methylguanidine?
3-amino-2-cyclohexyl-1-(2-ethoxyethyl)-1-methylguanidine has a molecular weight of 242.37 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-cyclohexyl-1-(2-ethoxyethyl)-1-methylguanidine is sourced from PubChem (CID 104887487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).