1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)-3-[(2-phenyloxolan-3-yl)methyl]guanidine

C24H40N4O2 — CID 111620942

IUPAC1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)-3-[(2-phenyloxolan-3-yl)methyl]guanidine
SMILESCCN/C(=N\CC(CC(C)C)N1CCOCC1)NCC1CCOC1c1ccccc1
InChIInChI=1S/C24H40N4O2/c1-4-25-24(27-18-22(16-19(2)3)28-11-14-29-15-12-28)26-17-21-10-13-30-23(21)20-8-6-5-7-9-20/h5-9,19,21-23H,4,10-18H2,1-3H3,(H2,25,26,27)
InChIKeyPBGOOZSPCYEKDP-UHFFFAOYSA-N
MW416.61 g/mol
LogP3.07
Rot. Bonds9

About 1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)-3-[(2-phenyloxolan-3-yl)methyl]guanidine

1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)-3-[(2-phenyloxolan-3-yl)methyl]guanidine (PubChem CID 111620942) has the molecular formula C24H40N4O2 and a molecular weight of 416.61 g/mol. Its IUPAC name is 1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)-3-[(2-phenyloxolan-3-yl)methyl]guanidine.

Molecular Properties

Compound Name1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)-3-[(2-phenyloxolan-3-yl)methyl]guanidine
PubChem CID111620942
Molecular FormulaC24H40N4O2
Molecular Weight416.61 g/mol
Exact Mass416.32
IUPAC Name1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)-3-[(2-phenyloxolan-3-yl)methyl]guanidine
SMILESCCN/C(=N\CC(CC(C)C)N1CCOCC1)NCC1CCOC1c1ccccc1
InChIInChI=1S/C24H40N4O2/c1-4-25-24(27-18-22(16-19(2)3)28-11-14-29-15-12-28)26-17-21-10-13-30-23(21)20-8-6-5-7-9-20/h5-9,19,21-23H,4,10-18H2,1-3H3,(H2,25,26,27)
InChIKeyPBGOOZSPCYEKDP-UHFFFAOYSA-N
XLogP3.07
TPSA58.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.61
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-2-(4-methyl-2-morpholin-4-ylpentyl)-3-[(2-phenyloxan-3-yl)methyl]guanidine
CID 111935591
1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)-3-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111136538
2-benzyl-1-ethyl-3-[(2-phenyloxolan-3-yl)methyl]guanidine
CID 111620804
1-ethyl-3-(3-hydroxy-3-phenylpropyl)-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine;hydroiodide
CID 111665395
1-ethyl-2-(2-methyl-3-phenylmethoxypropyl)-3-[(2-phenyloxolan-3-yl)methyl]guanidine;hydroiodide
CID 111620945
1-ethyl-3-[(2-phenyloxolan-3-yl)methyl]-2-(thiophen-2-ylmethyl)guanidine
CID 111620864
1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)-3-[(1-propylpiperidin-4-yl)methyl]guanidine;hydroiodide
CID 111935860
2-[2-(dimethylamino)-2-methylpropyl]-1-ethyl-3-[(2-phenyloxolan-3-yl)methyl]guanidine
CID 86770914
1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)-3-[(1-propylpyrrolidin-3-yl)methyl]guanidine
CID 111935385
1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)-3-prop-2-ynylguanidine
CID 111848569
2-chloro-N-[2-[[N-ethyl-N'-(4-methyl-2-morpholin-4-ylpentyl)carbamimidoyl]amino]ethyl]benzamide
CID 111934875
2-methyl-1-(4-methyl-2-morpholin-4-ylpentyl)-3-[[2-(4-methylphenyl)oxan-3-yl]methyl]guanidine
CID 111620702

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)-3-[(2-phenyloxolan-3-yl)methyl]guanidine?
The IUPAC name of 1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)-3-[(2-phenyloxolan-3-yl)methyl]guanidine (CID 111620942) is 1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)-3-[(2-phenyloxolan-3-yl)methyl]guanidine.
What is the SMILES notation for 1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)-3-[(2-phenyloxolan-3-yl)methyl]guanidine?
The canonical SMILES for 1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)-3-[(2-phenyloxolan-3-yl)methyl]guanidine is CCN/C(=N\CC(CC(C)C)N1CCOCC1)NCC1CCOC1c1ccccc1.
What is the InChIKey of 1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)-3-[(2-phenyloxolan-3-yl)methyl]guanidine?
The InChIKey is PBGOOZSPCYEKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40N4O2/c1-4-25-24(27-18-22(16-19(2)3)28-11-14-29-15-12-28)26-17-21-10-13-30-23(21)20-8-6-5-7-9-20/h5-9,19,21-23H,4,10-18H2,1-3H3,(H2,25,26,27).
What are the key properties of 1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)-3-[(2-phenyloxolan-3-yl)methyl]guanidine?
1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)-3-[(2-phenyloxolan-3-yl)methyl]guanidine has a molecular weight of 416.61 g/mol, XLogP of 3.07, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)-3-[(2-phenyloxolan-3-yl)methyl]guanidine is sourced from PubChem (CID 111620942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).