1-amino-2-(1,4-dioxan-2-ylmethyl)-3-(2-methoxyethyl)guanidine

C9H20N4O3 — CID 104884346

IUPAC1-amino-2-(1,4-dioxan-2-ylmethyl)-3-(2-methoxyethyl)guanidine
SMILESCOCCN/C(=N\CC1COCCO1)NN
InChIInChI=1S/C9H20N4O3/c1-14-3-2-11-9(13-10)12-6-8-7-15-4-5-16-8/h8H,2-7,10H2,1H3,(H2,11,12,13)
InChIKeyQAJZGCYAZAWBGE-UHFFFAOYSA-N
MW232.28 g/mol
LogP-1.54
Rot. Bonds5

About 1-amino-2-(1,4-dioxan-2-ylmethyl)-3-(2-methoxyethyl)guanidine

1-amino-2-(1,4-dioxan-2-ylmethyl)-3-(2-methoxyethyl)guanidine (PubChem CID 104884346) has the molecular formula C9H20N4O3 and a molecular weight of 232.28 g/mol. Its IUPAC name is 1-amino-2-(1,4-dioxan-2-ylmethyl)-3-(2-methoxyethyl)guanidine.

Molecular Properties

Compound Name1-amino-2-(1,4-dioxan-2-ylmethyl)-3-(2-methoxyethyl)guanidine
PubChem CID104884346
Molecular FormulaC9H20N4O3
Molecular Weight232.28 g/mol
Exact Mass232.15
IUPAC Name1-amino-2-(1,4-dioxan-2-ylmethyl)-3-(2-methoxyethyl)guanidine
SMILESCOCCN/C(=N\CC1COCCO1)NN
InChIInChI=1S/C9H20N4O3/c1-14-3-2-11-9(13-10)12-6-8-7-15-4-5-16-8/h8H,2-7,10H2,1H3,(H2,11,12,13)
InChIKeyQAJZGCYAZAWBGE-UHFFFAOYSA-N
XLogP-1.54
TPSA90.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 5-1.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-1-amino-3-(2-methoxyethyl)guanidine
CID 104887205
1-amino-3-cyclopentyl-2-(1,4-dioxan-2-ylmethyl)guanidine
CID 104884342
1-ethyl-3-(2-methoxyethyl)-2-(oxolan-2-ylmethyl)guanidine
CID 110940944
1-amino-3-(1,4-dioxan-2-ylmethyl)-2-(2-methylpropyl)guanidine
CID 104884344
2-(1,4-dioxan-2-ylmethyl)-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 119119474
1-amino-3-(3-ethoxypropyl)-2-(oxolan-2-ylmethyl)guanidine
CID 104883123
1-amino-2-[(1,1-dioxothiolan-2-yl)methyl]-3-(3-methoxypropyl)guanidine
CID 104887521
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-[[1-(dimethylamino)cyclobutyl]methyl]-3-(2-methoxyethyl)guanidine
CID 105421183
1-amino-3-butyl-2-(oxolan-3-ylmethyl)guanidine
CID 104882633
1-amino-3-(3-ethoxypropyl)-2-[(4-ethylmorpholin-2-yl)methyl]guanidine
CID 104921113

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(1,4-dioxan-2-ylmethyl)-3-(2-methoxyethyl)guanidine?
The IUPAC name of 1-amino-2-(1,4-dioxan-2-ylmethyl)-3-(2-methoxyethyl)guanidine (CID 104884346) is 1-amino-2-(1,4-dioxan-2-ylmethyl)-3-(2-methoxyethyl)guanidine.
What is the SMILES notation for 1-amino-2-(1,4-dioxan-2-ylmethyl)-3-(2-methoxyethyl)guanidine?
The canonical SMILES for 1-amino-2-(1,4-dioxan-2-ylmethyl)-3-(2-methoxyethyl)guanidine is COCCN/C(=N\CC1COCCO1)NN.
What is the InChIKey of 1-amino-2-(1,4-dioxan-2-ylmethyl)-3-(2-methoxyethyl)guanidine?
The InChIKey is QAJZGCYAZAWBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4O3/c1-14-3-2-11-9(13-10)12-6-8-7-15-4-5-16-8/h8H,2-7,10H2,1H3,(H2,11,12,13).
What are the key properties of 1-amino-2-(1,4-dioxan-2-ylmethyl)-3-(2-methoxyethyl)guanidine?
1-amino-2-(1,4-dioxan-2-ylmethyl)-3-(2-methoxyethyl)guanidine has a molecular weight of 232.28 g/mol, XLogP of -1.54, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(1,4-dioxan-2-ylmethyl)-3-(2-methoxyethyl)guanidine is sourced from PubChem (CID 104884346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).