1-(2-methoxyethyl)-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine

C12H26N4O2 — CID 51131421

IUPAC1-(2-methoxyethyl)-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine
SMILESCOCCN/C(N)=N/CC(C)(C)N1CCOCC1
InChIInChI=1S/C12H26N4O2/c1-12(2,16-5-8-18-9-6-16)10-15-11(13)14-4-7-17-3/h4-10H2,1-3H3,(H3,13,14,15)
InChIKeyKVBNPOUYYQQGLE-UHFFFAOYSA-N
MW258.37 g/mol
LogP-0.35
Rot. Bonds6

About 1-(2-methoxyethyl)-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine

1-(2-methoxyethyl)-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine (PubChem CID 51131421) has the molecular formula C12H26N4O2 and a molecular weight of 258.37 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine
PubChem CID51131421
Molecular FormulaC12H26N4O2
Molecular Weight258.37 g/mol
Exact Mass258.21
IUPAC Name1-(2-methoxyethyl)-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine
SMILESCOCCN/C(N)=N/CC(C)(C)N1CCOCC1
InChIInChI=1S/C12H26N4O2/c1-12(2,16-5-8-18-9-6-16)10-15-11(13)14-4-7-17-3/h4-10H2,1-3H3,(H3,13,14,15)
InChIKeyKVBNPOUYYQQGLE-UHFFFAOYSA-N
XLogP-0.35
TPSA72.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(2-methyl-2-morpholin-4-ylpropyl)-1-(2-methylpropyl)guanidine
CID 111028508
1-(cyclobutylmethyl)-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine
CID 111028558
1-(3,4-dimethoxyphenyl)-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine
CID 111028540
2-[[amino-(3-morpholin-4-ylpropylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide
CID 111037016
1-(2-butoxyethyl)-3-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111315969
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-(2-methoxyethyl)-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine
CID 111542146
2-methyl-1-(2-methyl-2-morpholin-4-ylpropyl)guanidine
CID 110913680
2-(2-methyl-2-piperidin-1-ylpropyl)-1-(2-methylpropyl)guanidine
CID 111028794
2-[[amino(morpholin-4-yl)methylidene]amino]-N-(2-methoxyethyl)acetamide
CID 111036986
2-[(3,4-dimethoxyphenyl)methyl]-1-(2-methyl-2-morpholin-4-ylpropyl)guanidine
CID 111028562
2-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-(2-methoxyethyl)guanidine;hydroiodide
CID 110914487
1-(2-methoxyethyl)-2-[3-(oxan-4-yloxy)propyl]guanidine;hydroiodide
CID 111464935

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine?
The IUPAC name of 1-(2-methoxyethyl)-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine (CID 51131421) is 1-(2-methoxyethyl)-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine.
What is the SMILES notation for 1-(2-methoxyethyl)-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine?
The canonical SMILES for 1-(2-methoxyethyl)-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine is COCCN/C(N)=N/CC(C)(C)N1CCOCC1.
What is the InChIKey of 1-(2-methoxyethyl)-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine?
The InChIKey is KVBNPOUYYQQGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O2/c1-12(2,16-5-8-18-9-6-16)10-15-11(13)14-4-7-17-3/h4-10H2,1-3H3,(H3,13,14,15).
What are the key properties of 1-(2-methoxyethyl)-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine?
1-(2-methoxyethyl)-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine has a molecular weight of 258.37 g/mol, XLogP of -0.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine is sourced from PubChem (CID 51131421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).