3-amino-1-cyclohexyl-1-ethyl-2-(1-methoxypropan-2-yl)guanidine

C13H28N4O — CID 104883196

IUPAC3-amino-1-cyclohexyl-1-ethyl-2-(1-methoxypropan-2-yl)guanidine
SMILESCCN(/C(=N/C(C)COC)NN)C1CCCCC1
InChIInChI=1S/C13H28N4O/c1-4-17(12-8-6-5-7-9-12)13(16-14)15-11(2)10-18-3/h11-12H,4-10,14H2,1-3H3,(H,15,16)
InChIKeyWMOKZQHPROUCHO-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.50
Rot. Bonds5

About 3-amino-1-cyclohexyl-1-ethyl-2-(1-methoxypropan-2-yl)guanidine

3-amino-1-cyclohexyl-1-ethyl-2-(1-methoxypropan-2-yl)guanidine (PubChem CID 104883196) has the molecular formula C13H28N4O and a molecular weight of 256.39 g/mol. Its IUPAC name is 3-amino-1-cyclohexyl-1-ethyl-2-(1-methoxypropan-2-yl)guanidine.

Molecular Properties

Compound Name3-amino-1-cyclohexyl-1-ethyl-2-(1-methoxypropan-2-yl)guanidine
PubChem CID104883196
Molecular FormulaC13H28N4O
Molecular Weight256.39 g/mol
Exact Mass256.23
IUPAC Name3-amino-1-cyclohexyl-1-ethyl-2-(1-methoxypropan-2-yl)guanidine
SMILESCCN(/C(=N/C(C)COC)NN)C1CCCCC1
InChIInChI=1S/C13H28N4O/c1-4-17(12-8-6-5-7-9-12)13(16-14)15-11(2)10-18-3/h11-12H,4-10,14H2,1-3H3,(H,15,16)
InChIKeyWMOKZQHPROUCHO-UHFFFAOYSA-N
XLogP1.50
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-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-(1-methoxypropan-2-yl)guanidine?
The IUPAC name of 3-amino-1-cyclohexyl-1-ethyl-2-(1-methoxypropan-2-yl)guanidine (CID 104883196) is 3-amino-1-cyclohexyl-1-ethyl-2-(1-methoxypropan-2-yl)guanidine.
What is the SMILES notation for 3-amino-1-cyclohexyl-1-ethyl-2-(1-methoxypropan-2-yl)guanidine?
The canonical SMILES for 3-amino-1-cyclohexyl-1-ethyl-2-(1-methoxypropan-2-yl)guanidine is CCN(/C(=N/C(C)COC)NN)C1CCCCC1.
What is the InChIKey of 3-amino-1-cyclohexyl-1-ethyl-2-(1-methoxypropan-2-yl)guanidine?
The InChIKey is WMOKZQHPROUCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4O/c1-4-17(12-8-6-5-7-9-12)13(16-14)15-11(2)10-18-3/h11-12H,4-10,14H2,1-3H3,(H,15,16).
What are the key properties of 3-amino-1-cyclohexyl-1-ethyl-2-(1-methoxypropan-2-yl)guanidine?
3-amino-1-cyclohexyl-1-ethyl-2-(1-methoxypropan-2-yl)guanidine has a molecular weight of 256.39 g/mol, XLogP of 1.50, 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-(1-methoxypropan-2-yl)guanidine is sourced from PubChem (CID 104883196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).