1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-[(2-phenylcyclopropyl)methyl]guanidine

C21H34N4O — CID 111558613

IUPAC1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-[(2-phenylcyclopropyl)methyl]guanidine
SMILESCCN/C(=N\CC(C)(C)N1CCOCC1)NCC1CC1c1ccccc1
InChIInChI=1S/C21H34N4O/c1-4-22-20(24-16-21(2,3)25-10-12-26-13-11-25)23-15-18-14-19(18)17-8-6-5-7-9-17/h5-9,18-19H,4,10-16H2,1-3H3,(H2,22,23,24)
InChIKeyFMGQQKVFRVZDTK-UHFFFAOYSA-N
MW358.53 g/mol
LogP2.46
Rot. Bonds7

About 1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-[(2-phenylcyclopropyl)methyl]guanidine

1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-[(2-phenylcyclopropyl)methyl]guanidine (PubChem CID 111558613) has the molecular formula C21H34N4O and a molecular weight of 358.53 g/mol. Its IUPAC name is 1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-[(2-phenylcyclopropyl)methyl]guanidine.

Molecular Properties

Compound Name1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-[(2-phenylcyclopropyl)methyl]guanidine
PubChem CID111558613
Molecular FormulaC21H34N4O
Molecular Weight358.53 g/mol
Exact Mass358.27
IUPAC Name1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-[(2-phenylcyclopropyl)methyl]guanidine
SMILESCCN/C(=N\CC(C)(C)N1CCOCC1)NCC1CC1c1ccccc1
InChIInChI=1S/C21H34N4O/c1-4-22-20(24-16-21(2,3)25-10-12-26-13-11-25)23-15-18-14-19(18)17-8-6-5-7-9-17/h5-9,18-19H,4,10-16H2,1-3H3,(H2,22,23,24)
InChIKeyFMGQQKVFRVZDTK-UHFFFAOYSA-N
XLogP2.46
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-3-(3-hydroxy-3-phenylpropyl)-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine
CID 111665690
1-ethyl-3-[2-(N-methylanilino)propyl]-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111314081
1-[2-(2-ethoxyphenyl)ethyl]-3-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111315591
1-[2-(benzylsulfamoyl)ethyl]-3-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111313737
2-chloro-N-[2-[[N-ethyl-N'-(2-methyl-2-morpholin-4-ylpropyl)carbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111314573
1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111139868
1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-[2-(quinolin-2-ylamino)ethyl]guanidine;hydroiodide
CID 111313175
2-[[ethylamino-[(2-phenylcyclopropyl)methylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111558520
1-cyclobutyl-3-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine
CID 119146336
1-ethyl-3-[2-hydroxy-3-(3-methylphenoxy)propyl]-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine
CID 111315726
1-ethyl-2-[(4-methoxyphenyl)methyl]-3-[(2-phenylcyclopropyl)methyl]guanidine
CID 111558479
1-ethyl-3-(2-hydroxy-2-thiophen-3-ylpropyl)-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111655111

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-[(2-phenylcyclopropyl)methyl]guanidine?
The IUPAC name of 1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-[(2-phenylcyclopropyl)methyl]guanidine (CID 111558613) is 1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-[(2-phenylcyclopropyl)methyl]guanidine.
What is the SMILES notation for 1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-[(2-phenylcyclopropyl)methyl]guanidine?
The canonical SMILES for 1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-[(2-phenylcyclopropyl)methyl]guanidine is CCN/C(=N\CC(C)(C)N1CCOCC1)NCC1CC1c1ccccc1.
What is the InChIKey of 1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-[(2-phenylcyclopropyl)methyl]guanidine?
The InChIKey is FMGQQKVFRVZDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O/c1-4-22-20(24-16-21(2,3)25-10-12-26-13-11-25)23-15-18-14-19(18)17-8-6-5-7-9-17/h5-9,18-19H,4,10-16H2,1-3H3,(H2,22,23,24).
What are the key properties of 1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-[(2-phenylcyclopropyl)methyl]guanidine?
1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-[(2-phenylcyclopropyl)methyl]guanidine has a molecular weight of 358.53 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-[(2-phenylcyclopropyl)methyl]guanidine is sourced from PubChem (CID 111558613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).