1-(3-ethyl-2-morpholin-4-ylpentyl)-2-methyl-3-propylguanidine

C16H34N4O — CID 111228651

IUPAC1-(3-ethyl-2-morpholin-4-ylpentyl)-2-methyl-3-propylguanidine
SMILESCCCN/C(=N\C)NCC(C(CC)CC)N1CCOCC1
InChIInChI=1S/C16H34N4O/c1-5-8-18-16(17-4)19-13-15(14(6-2)7-3)20-9-11-21-12-10-20/h14-15H,5-13H2,1-4H3,(H2,17,18,19)
InChIKeyQLJIKJZMSXPFED-UHFFFAOYSA-N
MW298.47 g/mol
LogP1.70
Rot. Bonds8

About 1-(3-ethyl-2-morpholin-4-ylpentyl)-2-methyl-3-propylguanidine

1-(3-ethyl-2-morpholin-4-ylpentyl)-2-methyl-3-propylguanidine (PubChem CID 111228651) has the molecular formula C16H34N4O and a molecular weight of 298.47 g/mol. Its IUPAC name is 1-(3-ethyl-2-morpholin-4-ylpentyl)-2-methyl-3-propylguanidine.

Molecular Properties

Compound Name1-(3-ethyl-2-morpholin-4-ylpentyl)-2-methyl-3-propylguanidine
PubChem CID111228651
Molecular FormulaC16H34N4O
Molecular Weight298.47 g/mol
Exact Mass298.27
IUPAC Name1-(3-ethyl-2-morpholin-4-ylpentyl)-2-methyl-3-propylguanidine
SMILESCCCN/C(=N\C)NCC(C(CC)CC)N1CCOCC1
InChIInChI=1S/C16H34N4O/c1-5-8-18-16(17-4)19-13-15(14(6-2)7-3)20-9-11-21-12-10-20/h14-15H,5-13H2,1-4H3,(H2,17,18,19)
InChIKeyQLJIKJZMSXPFED-UHFFFAOYSA-N
XLogP1.70
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 51.70
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

2-methyl-1-(3-methyl-2-morpholin-4-ylbutyl)-3-propylguanidine
CID 111228645
1-[2-[ethyl(methyl)amino]ethyl]-3-(3-ethyl-2-morpholin-4-ylpentyl)-2-methylguanidine;hydroiodide
CID 111936296
1-(3-ethyl-2-morpholin-4-ylpentyl)-2-methyl-3-[2-(2-methylpropoxy)ethyl]guanidine;hydroiodide
CID 111936630
1-[4-(diethylamino)butyl]-3-(3-ethyl-2-morpholin-4-ylpentyl)-2-methylguanidine
CID 111936251
3-[[N-(3-ethyl-2-morpholin-4-ylpentyl)-N'-methylcarbamimidoyl]amino]-N,N-dimethylpropanamide
CID 111936273
1-[2-(4-acetylpiperazin-1-yl)ethyl]-3-(3-ethyl-2-morpholin-4-ylpentyl)-2-methylguanidine
CID 111936253
1-(3-ethyl-2-morpholin-4-ylpentyl)-2-methyl-3-(2-prop-2-enylsulfanylethyl)guanidine;hydroiodide
CID 111936904
1-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-3-(3-ethyl-2-morpholin-4-ylpentyl)-2-methylguanidine;hydroiodide
CID 109396385
1-benzyl-3-(3-ethyl-2-morpholin-4-ylpentyl)-2-methylguanidine
CID 110954798
2-[[ethylamino-[(3-ethyl-2-morpholin-4-ylpentyl)amino]methylidene]amino]-N-propylacetamide
CID 111936645
1-(3-ethyl-2-morpholin-4-ylpentyl)-2-methyl-3-[(1-propylpiperidin-4-yl)methyl]guanidine;hydroiodide
CID 111936614
2-methyl-1-(3-methyl-2-morpholin-4-ylbutyl)-3-pentylguanidine;hydroiodide
CID 111129208

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-2-morpholin-4-ylpentyl)-2-methyl-3-propylguanidine?
The IUPAC name of 1-(3-ethyl-2-morpholin-4-ylpentyl)-2-methyl-3-propylguanidine (CID 111228651) is 1-(3-ethyl-2-morpholin-4-ylpentyl)-2-methyl-3-propylguanidine.
What is the SMILES notation for 1-(3-ethyl-2-morpholin-4-ylpentyl)-2-methyl-3-propylguanidine?
The canonical SMILES for 1-(3-ethyl-2-morpholin-4-ylpentyl)-2-methyl-3-propylguanidine is CCCN/C(=N\C)NCC(C(CC)CC)N1CCOCC1.
What is the InChIKey of 1-(3-ethyl-2-morpholin-4-ylpentyl)-2-methyl-3-propylguanidine?
The InChIKey is QLJIKJZMSXPFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N4O/c1-5-8-18-16(17-4)19-13-15(14(6-2)7-3)20-9-11-21-12-10-20/h14-15H,5-13H2,1-4H3,(H2,17,18,19).
What are the key properties of 1-(3-ethyl-2-morpholin-4-ylpentyl)-2-methyl-3-propylguanidine?
1-(3-ethyl-2-morpholin-4-ylpentyl)-2-methyl-3-propylguanidine has a molecular weight of 298.47 g/mol, XLogP of 1.70, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-2-morpholin-4-ylpentyl)-2-methyl-3-propylguanidine is sourced from PubChem (CID 111228651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).