1-amino-2-[[1-(dimethylamino)cyclobutyl]methyl]-3-(2-methoxyethyl)guanidine

C11H25N5O — CID 105421183

IUPAC1-amino-2-[[1-(dimethylamino)cyclobutyl]methyl]-3-(2-methoxyethyl)guanidine
SMILESCOCCN/C(=N\CC1(N(C)C)CCC1)NN
InChIInChI=1S/C11H25N5O/c1-16(2)11(5-4-6-11)9-14-10(15-12)13-7-8-17-3/h4-9,12H2,1-3H3,(H2,13,14,15)
InChIKeyGOBBBWBZYCSOIK-UHFFFAOYSA-N
MW243.35 g/mol
LogP-0.47
Rot. Bonds6

About 1-amino-2-[[1-(dimethylamino)cyclobutyl]methyl]-3-(2-methoxyethyl)guanidine

1-amino-2-[[1-(dimethylamino)cyclobutyl]methyl]-3-(2-methoxyethyl)guanidine (PubChem CID 105421183) has the molecular formula C11H25N5O and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-amino-2-[[1-(dimethylamino)cyclobutyl]methyl]-3-(2-methoxyethyl)guanidine.

Molecular Properties

Compound Name1-amino-2-[[1-(dimethylamino)cyclobutyl]methyl]-3-(2-methoxyethyl)guanidine
PubChem CID105421183
Molecular FormulaC11H25N5O
Molecular Weight243.35 g/mol
Exact Mass243.21
IUPAC Name1-amino-2-[[1-(dimethylamino)cyclobutyl]methyl]-3-(2-methoxyethyl)guanidine
SMILESCOCCN/C(=N\CC1(N(C)C)CCC1)NN
InChIInChI=1S/C11H25N5O/c1-16(2)11(5-4-6-11)9-14-10(15-12)13-7-8-17-3/h4-9,12H2,1-3H3,(H2,13,14,15)
InChIKeyGOBBBWBZYCSOIK-UHFFFAOYSA-N
XLogP-0.47
TPSA74.91 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-amino-2-[[1-(dimethylamino)cyclopentyl]methyl]-3-(3-ethoxypropyl)guanidine
CID 104888113
2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-(2-methoxyethyl)guanidine;hydroiodide
CID 110927467
1-amino-3-(2-methoxyethyl)-2-(2,2,2-trifluoroethyl)guanidine
CID 104883049
1-amino-2-(3-cyclopentylpropyl)-3-(2-methoxyethyl)guanidine
CID 106013168
1-amino-2-benzyl-3-(2-methoxyethyl)guanidine
CID 116511560
1-amino-2-(1,4-dioxan-2-ylmethyl)-3-(2-methoxyethyl)guanidine
CID 104884346
1-amino-3-(2-methoxyethyl)-2-(4-methylpentyl)guanidine
CID 104885989
N'-[[1-(dimethylamino)cyclopentyl]methyl]ethanimidamide
CID 78931850
1-amino-3-(2-methoxyethyl)-2-[(1-methylpyrazol-4-yl)methyl]guanidine
CID 104885178
N-[[1-(dimethylamino)cyclohexyl]methyl]-2-(2-methoxyethylamino)acetamide
CID 78914071
1-amino-3-(2-methoxyethyl)-2-(4-methylsulfanylbutyl)guanidine
CID 104888522
1-amino-3-(2-methoxyethyl)-2-(3-phenylpropyl)guanidine
CID 116513509

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-[[1-(dimethylamino)cyclobutyl]methyl]-3-(2-methoxyethyl)guanidine?
The IUPAC name of 1-amino-2-[[1-(dimethylamino)cyclobutyl]methyl]-3-(2-methoxyethyl)guanidine (CID 105421183) is 1-amino-2-[[1-(dimethylamino)cyclobutyl]methyl]-3-(2-methoxyethyl)guanidine.
What is the SMILES notation for 1-amino-2-[[1-(dimethylamino)cyclobutyl]methyl]-3-(2-methoxyethyl)guanidine?
The canonical SMILES for 1-amino-2-[[1-(dimethylamino)cyclobutyl]methyl]-3-(2-methoxyethyl)guanidine is COCCN/C(=N\CC1(N(C)C)CCC1)NN.
What is the InChIKey of 1-amino-2-[[1-(dimethylamino)cyclobutyl]methyl]-3-(2-methoxyethyl)guanidine?
The InChIKey is GOBBBWBZYCSOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N5O/c1-16(2)11(5-4-6-11)9-14-10(15-12)13-7-8-17-3/h4-9,12H2,1-3H3,(H2,13,14,15).
What are the key properties of 1-amino-2-[[1-(dimethylamino)cyclobutyl]methyl]-3-(2-methoxyethyl)guanidine?
1-amino-2-[[1-(dimethylamino)cyclobutyl]methyl]-3-(2-methoxyethyl)guanidine has a molecular weight of 243.35 g/mol, XLogP of -0.47, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[[1-(dimethylamino)cyclobutyl]methyl]-3-(2-methoxyethyl)guanidine is sourced from PubChem (CID 105421183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).