3-amino-1-(2-ethoxyethyl)-2-(1-methoxypropan-2-yl)-1-methylguanidine

C10H24N4O2 — CID 104887482

IUPAC3-amino-1-(2-ethoxyethyl)-2-(1-methoxypropan-2-yl)-1-methylguanidine
SMILESCCOCCN(C)/C(=N\C(C)COC)NN
InChIInChI=1S/C10H24N4O2/c1-5-16-7-6-14(3)10(13-11)12-9(2)8-15-4/h9H,5-8,11H2,1-4H3,(H,12,13)
InChIKeyNPZQGODRFYCKFD-UHFFFAOYSA-N
MW232.33 g/mol
LogP-0.19
Rot. Bonds7

About 3-amino-1-(2-ethoxyethyl)-2-(1-methoxypropan-2-yl)-1-methylguanidine

3-amino-1-(2-ethoxyethyl)-2-(1-methoxypropan-2-yl)-1-methylguanidine (PubChem CID 104887482) has the molecular formula C10H24N4O2 and a molecular weight of 232.33 g/mol. Its IUPAC name is 3-amino-1-(2-ethoxyethyl)-2-(1-methoxypropan-2-yl)-1-methylguanidine.

Molecular Properties

Compound Name3-amino-1-(2-ethoxyethyl)-2-(1-methoxypropan-2-yl)-1-methylguanidine
PubChem CID104887482
Molecular FormulaC10H24N4O2
Molecular Weight232.33 g/mol
Exact Mass232.19
IUPAC Name3-amino-1-(2-ethoxyethyl)-2-(1-methoxypropan-2-yl)-1-methylguanidine
SMILESCCOCCN(C)/C(=N\C(C)COC)NN
InChIInChI=1S/C10H24N4O2/c1-5-16-7-6-14(3)10(13-11)12-9(2)8-15-4/h9H,5-8,11H2,1-4H3,(H,12,13)
InChIKeyNPZQGODRFYCKFD-UHFFFAOYSA-N
XLogP-0.19
TPSA72.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
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

3-amino-1-ethyl-2-(1-methoxypropan-2-yl)-1-propylguanidine
CID 104883585
3-amino-1-(2-ethoxyethyl)-2-(2-methoxyethyl)-1-methylguanidine
CID 104887493
3-amino-2-(1-methoxypropan-2-yl)-1-methyl-1-(2-phenylethyl)guanidine
CID 116515417
3-amino-1-butyl-1-ethyl-2-(1-methoxypropan-2-yl)guanidine
CID 104883410
3-amino-1-ethyl-2-(1-methoxypropan-2-yl)-1-(2-methylpropyl)guanidine
CID 104883492
3-amino-1-cyclopropyl-2-(1-methoxypropan-2-yl)-1-methylguanidine
CID 104883526
3-amino-2-(1-methoxypropan-2-yl)-1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]guanidine
CID 104886039
3-amino-1-ethyl-1-(2-ethylbutyl)-2-(1-methoxypropan-2-yl)guanidine
CID 104884792
3-amino-2-cyclohexyl-1-(2-ethoxyethyl)-1-methylguanidine
CID 104887487
3-amino-2-(3-ethoxypropyl)-1-(2-methoxyethyl)-1-(1-methoxypropan-2-yl)guanidine
CID 104885181
3-amino-2-(3-ethoxypropyl)-1-methyl-1-propylguanidine
CID 104883516
N-(2-ethoxyethyl)-N,2-dimethylpropanamide
CID 11423854

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-ethoxyethyl)-2-(1-methoxypropan-2-yl)-1-methylguanidine?
The IUPAC name of 3-amino-1-(2-ethoxyethyl)-2-(1-methoxypropan-2-yl)-1-methylguanidine (CID 104887482) is 3-amino-1-(2-ethoxyethyl)-2-(1-methoxypropan-2-yl)-1-methylguanidine.
What is the SMILES notation for 3-amino-1-(2-ethoxyethyl)-2-(1-methoxypropan-2-yl)-1-methylguanidine?
The canonical SMILES for 3-amino-1-(2-ethoxyethyl)-2-(1-methoxypropan-2-yl)-1-methylguanidine is CCOCCN(C)/C(=N\C(C)COC)NN.
What is the InChIKey of 3-amino-1-(2-ethoxyethyl)-2-(1-methoxypropan-2-yl)-1-methylguanidine?
The InChIKey is NPZQGODRFYCKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N4O2/c1-5-16-7-6-14(3)10(13-11)12-9(2)8-15-4/h9H,5-8,11H2,1-4H3,(H,12,13).
What are the key properties of 3-amino-1-(2-ethoxyethyl)-2-(1-methoxypropan-2-yl)-1-methylguanidine?
3-amino-1-(2-ethoxyethyl)-2-(1-methoxypropan-2-yl)-1-methylguanidine has a molecular weight of 232.33 g/mol, XLogP of -0.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-ethoxyethyl)-2-(1-methoxypropan-2-yl)-1-methylguanidine is sourced from PubChem (CID 104887482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).