3-amino-2-(3-ethoxypropyl)-1-(2-methoxyethyl)-1-(1-methoxypropan-2-yl)guanidine

C13H30N4O3 — CID 104885181

IUPAC3-amino-2-(3-ethoxypropyl)-1-(2-methoxyethyl)-1-(1-methoxypropan-2-yl)guanidine
SMILESCCOCCC/N=C(\NN)N(CCOC)C(C)COC
InChIInChI=1S/C13H30N4O3/c1-5-20-9-6-7-15-13(16-14)17(8-10-18-3)12(2)11-19-4/h12H,5-11,14H2,1-4H3,(H,15,16)
InChIKeyREDDTFPURFCAJL-UHFFFAOYSA-N
MW290.41 g/mol
LogP0.22
Rot. Bonds11

About 3-amino-2-(3-ethoxypropyl)-1-(2-methoxyethyl)-1-(1-methoxypropan-2-yl)guanidine

3-amino-2-(3-ethoxypropyl)-1-(2-methoxyethyl)-1-(1-methoxypropan-2-yl)guanidine (PubChem CID 104885181) has the molecular formula C13H30N4O3 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-amino-2-(3-ethoxypropyl)-1-(2-methoxyethyl)-1-(1-methoxypropan-2-yl)guanidine.

Molecular Properties

Compound Name3-amino-2-(3-ethoxypropyl)-1-(2-methoxyethyl)-1-(1-methoxypropan-2-yl)guanidine
PubChem CID104885181
Molecular FormulaC13H30N4O3
Molecular Weight290.41 g/mol
Exact Mass290.23
IUPAC Name3-amino-2-(3-ethoxypropyl)-1-(2-methoxyethyl)-1-(1-methoxypropan-2-yl)guanidine
SMILESCCOCCC/N=C(\NN)N(CCOC)C(C)COC
InChIInChI=1S/C13H30N4O3/c1-5-20-9-6-7-15-13(16-14)17(8-10-18-3)12(2)11-19-4/h12H,5-11,14H2,1-4H3,(H,15,16)
InChIKeyREDDTFPURFCAJL-UHFFFAOYSA-N
XLogP0.22
TPSA81.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 50.22
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(3-ethoxypropyl)-1-(2-methoxyethyl)-1-(1-methoxypropan-2-yl)guanidine?
The IUPAC name of 3-amino-2-(3-ethoxypropyl)-1-(2-methoxyethyl)-1-(1-methoxypropan-2-yl)guanidine (CID 104885181) is 3-amino-2-(3-ethoxypropyl)-1-(2-methoxyethyl)-1-(1-methoxypropan-2-yl)guanidine.
What is the SMILES notation for 3-amino-2-(3-ethoxypropyl)-1-(2-methoxyethyl)-1-(1-methoxypropan-2-yl)guanidine?
The canonical SMILES for 3-amino-2-(3-ethoxypropyl)-1-(2-methoxyethyl)-1-(1-methoxypropan-2-yl)guanidine is CCOCCC/N=C(\NN)N(CCOC)C(C)COC.
What is the InChIKey of 3-amino-2-(3-ethoxypropyl)-1-(2-methoxyethyl)-1-(1-methoxypropan-2-yl)guanidine?
The InChIKey is REDDTFPURFCAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N4O3/c1-5-20-9-6-7-15-13(16-14)17(8-10-18-3)12(2)11-19-4/h12H,5-11,14H2,1-4H3,(H,15,16).
What are the key properties of 3-amino-2-(3-ethoxypropyl)-1-(2-methoxyethyl)-1-(1-methoxypropan-2-yl)guanidine?
3-amino-2-(3-ethoxypropyl)-1-(2-methoxyethyl)-1-(1-methoxypropan-2-yl)guanidine has a molecular weight of 290.41 g/mol, XLogP of 0.22, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(3-ethoxypropyl)-1-(2-methoxyethyl)-1-(1-methoxypropan-2-yl)guanidine is sourced from PubChem (CID 104885181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).