1-amino-3-(2,2-diethyloxan-4-yl)-2-(2-methoxyethyl)guanidine

C13H28N4O2 — CID 104887998

IUPAC1-amino-3-(2,2-diethyloxan-4-yl)-2-(2-methoxyethyl)guanidine
SMILESCCC1(CC)CC(N/C(=N/CCOC)NN)CCO1
InChIInChI=1S/C13H28N4O2/c1-4-13(5-2)10-11(6-8-19-13)16-12(17-14)15-7-9-18-3/h11H,4-10,14H2,1-3H3,(H2,15,16,17)
InChIKeyFGXUVHOGJJVXOW-UHFFFAOYSA-N
MW272.39 g/mol
LogP0.78
Rot. Bonds6

About 1-amino-3-(2,2-diethyloxan-4-yl)-2-(2-methoxyethyl)guanidine

1-amino-3-(2,2-diethyloxan-4-yl)-2-(2-methoxyethyl)guanidine (PubChem CID 104887998) has the molecular formula C13H28N4O2 and a molecular weight of 272.39 g/mol. Its IUPAC name is 1-amino-3-(2,2-diethyloxan-4-yl)-2-(2-methoxyethyl)guanidine.

Molecular Properties

Compound Name1-amino-3-(2,2-diethyloxan-4-yl)-2-(2-methoxyethyl)guanidine
PubChem CID104887998
Molecular FormulaC13H28N4O2
Molecular Weight272.39 g/mol
Exact Mass272.22
IUPAC Name1-amino-3-(2,2-diethyloxan-4-yl)-2-(2-methoxyethyl)guanidine
SMILESCCC1(CC)CC(N/C(=N/CCOC)NN)CCO1
InChIInChI=1S/C13H28N4O2/c1-4-13(5-2)10-11(6-8-19-13)16-12(17-14)15-7-9-18-3/h11H,4-10,14H2,1-3H3,(H2,15,16,17)
InChIKeyFGXUVHOGJJVXOW-UHFFFAOYSA-N
XLogP0.78
TPSA80.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 50.78
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-cyclohexyl-3-(2,2-diethyloxan-4-yl)guanidine
CID 104887993
1-amino-2-(3-methoxypropyl)-3-(thiolan-3-yl)guanidine
CID 103065587
2,2-diethyl-N-[2-(3-methoxypropoxy)ethyl]oxan-4-amine
CID 103179364
(2S)-2-amino-N-(2,2-diethyloxan-4-yl)-3-methylpentanamide
CID 83029138
1-amino-2-(3-methoxypropyl)-3-(1-methylpiperidin-4-yl)guanidine
CID 104883732
N-(2,2-diethyloxan-4-yl)prop-2-enamide
CID 83032720
1-amino-2-(3-methoxypropyl)-3-(1-propylpiperidin-4-yl)guanidine
CID 104885498
2-amino-N-(2,2-diethyloxan-4-yl)-3,3-dimethylbutanamide
CID 112555896
methyl 3-[(2,2-diethyloxan-4-yl)amino]-2-methylpropanoate
CID 83033168
2-amino-N-(2,2-diethyloxan-4-yl)butanediamide
CID 83028377
1-(aminomethyl)-N-(2,2-diethyloxan-4-yl)cyclopentane-1-carboxamide
CID 83033815
2-amino-N-(2,2-diethyloxan-4-yl)-3,3,3-trifluoro-2-methylpropanamide
CID 83028310

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(2,2-diethyloxan-4-yl)-2-(2-methoxyethyl)guanidine?
The IUPAC name of 1-amino-3-(2,2-diethyloxan-4-yl)-2-(2-methoxyethyl)guanidine (CID 104887998) is 1-amino-3-(2,2-diethyloxan-4-yl)-2-(2-methoxyethyl)guanidine.
What is the SMILES notation for 1-amino-3-(2,2-diethyloxan-4-yl)-2-(2-methoxyethyl)guanidine?
The canonical SMILES for 1-amino-3-(2,2-diethyloxan-4-yl)-2-(2-methoxyethyl)guanidine is CCC1(CC)CC(N/C(=N/CCOC)NN)CCO1.
What is the InChIKey of 1-amino-3-(2,2-diethyloxan-4-yl)-2-(2-methoxyethyl)guanidine?
The InChIKey is FGXUVHOGJJVXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4O2/c1-4-13(5-2)10-11(6-8-19-13)16-12(17-14)15-7-9-18-3/h11H,4-10,14H2,1-3H3,(H2,15,16,17).
What are the key properties of 1-amino-3-(2,2-diethyloxan-4-yl)-2-(2-methoxyethyl)guanidine?
1-amino-3-(2,2-diethyloxan-4-yl)-2-(2-methoxyethyl)guanidine has a molecular weight of 272.39 g/mol, XLogP of 0.78, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(2,2-diethyloxan-4-yl)-2-(2-methoxyethyl)guanidine is sourced from PubChem (CID 104887998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).