1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-(4-morpholin-4-ylbutyl)guanidine

C19H39N5O2 — CID 111314856

IUPAC1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-(4-morpholin-4-ylbutyl)guanidine
SMILESCCN/C(=N\CC(C)(C)N1CCOCC1)NCCCCN1CCOCC1
InChIInChI=1S/C19H39N5O2/c1-4-20-18(21-7-5-6-8-23-9-13-25-14-10-23)22-17-19(2,3)24-11-15-26-16-12-24/h4-17H2,1-3H3,(H2,20,21,22)
InChIKeyPOAMRLINPMPOFZ-UHFFFAOYSA-N
MW369.55 g/mol
LogP0.76
Rot. Bonds9

About 1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-(4-morpholin-4-ylbutyl)guanidine

1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-(4-morpholin-4-ylbutyl)guanidine (PubChem CID 111314856) has the molecular formula C19H39N5O2 and a molecular weight of 369.55 g/mol. Its IUPAC name is 1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-(4-morpholin-4-ylbutyl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-(4-morpholin-4-ylbutyl)guanidine
PubChem CID111314856
Molecular FormulaC19H39N5O2
Molecular Weight369.55 g/mol
Exact Mass369.31
IUPAC Name1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-(4-morpholin-4-ylbutyl)guanidine
SMILESCCN/C(=N\CC(C)(C)N1CCOCC1)NCCCCN1CCOCC1
InChIInChI=1S/C19H39N5O2/c1-4-20-18(21-7-5-6-8-23-9-13-25-14-10-23)22-17-19(2,3)24-11-15-26-16-12-24/h4-17H2,1-3H3,(H2,20,21,22)
InChIKeyPOAMRLINPMPOFZ-UHFFFAOYSA-N
XLogP0.76
TPSA61.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.55
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-(5-piperidin-1-ylpentyl)guanidine
CID 111784230
1-ethyl-3-[3-(4-methyl-1,4-diazepan-1-yl)propyl]-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111315525
1-[7-(dimethylamino)heptyl]-3-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111315759
1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-[4-(2-methylpiperidin-1-yl)butyl]guanidine
CID 111314112
1-[3-[di(propan-2-yl)amino]propyl]-3-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine
CID 111692462
1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-(3-pyrazol-1-ylpropyl)guanidine
CID 111315660
1-(2-butoxyethyl)-3-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111315969
2-(cyclopropylmethyl)-1-ethyl-3-(4-morpholin-4-ylbutyl)guanidine;hydroiodide
CID 111870289
N-tert-butyl-2-[[ethylamino-(3-morpholin-4-ylpropylamino)methylidene]amino]acetamide
CID 110972315
1-(3-cyclohexyloxypropyl)-3-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111315617
1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-[3-(2-oxoazepan-1-yl)propyl]guanidine;hydroiodide
CID 111315865
N-tert-butyl-2-[[ethylamino-(3-morpholin-4-ylpropylamino)methylidene]amino]acetamide;hydroiodide
CID 110972314

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-(4-morpholin-4-ylbutyl)guanidine?
The IUPAC name of 1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-(4-morpholin-4-ylbutyl)guanidine (CID 111314856) is 1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-(4-morpholin-4-ylbutyl)guanidine.
What is the SMILES notation for 1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-(4-morpholin-4-ylbutyl)guanidine?
The canonical SMILES for 1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-(4-morpholin-4-ylbutyl)guanidine is CCN/C(=N\CC(C)(C)N1CCOCC1)NCCCCN1CCOCC1.
What is the InChIKey of 1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-(4-morpholin-4-ylbutyl)guanidine?
The InChIKey is POAMRLINPMPOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39N5O2/c1-4-20-18(21-7-5-6-8-23-9-13-25-14-10-23)22-17-19(2,3)24-11-15-26-16-12-24/h4-17H2,1-3H3,(H2,20,21,22).
What are the key properties of 1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-(4-morpholin-4-ylbutyl)guanidine?
1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-(4-morpholin-4-ylbutyl)guanidine has a molecular weight of 369.55 g/mol, XLogP of 0.76, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-(4-morpholin-4-ylbutyl)guanidine is sourced from PubChem (CID 111314856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).