3-amino-1-cyclohexyl-1-ethyl-2-(2-methoxyethyl)guanidine

C12H26N4O — CID 104883204

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

About 3-amino-1-cyclohexyl-1-ethyl-2-(2-methoxyethyl)guanidine

3-amino-1-cyclohexyl-1-ethyl-2-(2-methoxyethyl)guanidine (PubChem CID 104883204) has the molecular formula C12H26N4O and a molecular weight of 242.37 g/mol. Its IUPAC name is 3-amino-1-cyclohexyl-1-ethyl-2-(2-methoxyethyl)guanidine.

Molecular Properties

Compound Name3-amino-1-cyclohexyl-1-ethyl-2-(2-methoxyethyl)guanidine
PubChem CID104883204
Molecular FormulaC12H26N4O
Molecular Weight242.37 g/mol
Exact Mass242.21
IUPAC Name3-amino-1-cyclohexyl-1-ethyl-2-(2-methoxyethyl)guanidine
SMILESCCN(/C(=N/CCOC)NN)C1CCCCC1
InChIInChI=1S/C12H26N4O/c1-3-16(11-7-5-4-6-8-11)12(15-13)14-9-10-17-2/h11H,3-10,13H2,1-2H3,(H,14,15)
InChIKeyJQWVENOSZZFVHP-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

1-Butan-2-yl-2-cyclohexyl-1-(2-methoxyethyl)guanidine
CID 62362083
2-Cyclohexyl-1-(2-methoxyethyl)-1-pentan-3-ylguanidine
CID 62363389
1-Amino-3-cyclohexyl-2-(2-methoxypropyl)guanidine
CID 102702158
N-amino-3-methoxy-N'-propan-2-ylpiperidine-1-carboximidamide
CID 102972044
3-Amino-1-[3-(diethylamino)propyl]-1-ethyl-2-(1-methoxypropan-2-yl)guanidine
CID 102999156
3-Amino-1-[1-(dimethylamino)propan-2-yl]-1-ethyl-2-(2-methoxyethyl)guanidine
CID 103192666
N-amino-N'-cyclohexyl-3-methoxypyrrolidine-1-carboximidamide
CID 103542262
3-Amino-1-cyclohexyl-1-ethyl-2-methylguanidine
CID 104881955
3-Amino-1-ethyl-1-(1-methoxypropan-2-yl)-2-methylguanidine
CID 104882063
3-Amino-1-butan-2-yl-1-(2-methoxyethyl)-2-methylguanidine
CID 104882133
3-Amino-1-(2-methoxyethyl)-2-methyl-1-pentan-3-ylguanidine
CID 104882157
3-Amino-1-(2-methoxyethyl)-2-methyl-1-propan-2-ylguanidine
CID 104882409

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-cyclohexyl-1-ethyl-2-(2-methoxyethyl)guanidine?
The IUPAC name of 3-amino-1-cyclohexyl-1-ethyl-2-(2-methoxyethyl)guanidine (CID 104883204) is 3-amino-1-cyclohexyl-1-ethyl-2-(2-methoxyethyl)guanidine.
What is the SMILES notation for 3-amino-1-cyclohexyl-1-ethyl-2-(2-methoxyethyl)guanidine?
The canonical SMILES for 3-amino-1-cyclohexyl-1-ethyl-2-(2-methoxyethyl)guanidine is CCN(/C(=N/CCOC)NN)C1CCCCC1.
What is the InChIKey of 3-amino-1-cyclohexyl-1-ethyl-2-(2-methoxyethyl)guanidine?
The InChIKey is JQWVENOSZZFVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O/c1-3-16(11-7-5-4-6-8-11)12(15-13)14-9-10-17-2/h11H,3-10,13H2,1-2H3,(H,14,15).
What are the key properties of 3-amino-1-cyclohexyl-1-ethyl-2-(2-methoxyethyl)guanidine?
3-amino-1-cyclohexyl-1-ethyl-2-(2-methoxyethyl)guanidine 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-1-cyclohexyl-1-ethyl-2-(2-methoxyethyl)guanidine is sourced from PubChem (CID 104883204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).