1-ethyl-2-(2-methyl-3-morpholin-4-ylpropyl)-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide

C19H40IN5O — CID 111834490

IUPAC1-ethyl-2-(2-methyl-3-morpholin-4-ylpropyl)-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
SMILESCCCN1CCC(N/C(=N/CC(C)CN2CCOCC2)NCC)CC1.I
InChIInChI=1S/C19H39N5O.HI/c1-4-8-23-9-6-18(7-10-23)22-19(20-5-2)21-15-17(3)16-24-11-13-25-14-12-24;/h17-18H,4-16H2,1-3H3,(H2,20,21,22);1H
InChIKeyBSXKMXFXUXNQOX-UHFFFAOYSA-N
MW481.47 g/mol
LogP2.00
Rot. Bonds8

About 1-ethyl-2-(2-methyl-3-morpholin-4-ylpropyl)-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide

1-ethyl-2-(2-methyl-3-morpholin-4-ylpropyl)-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide (PubChem CID 111834490) has the molecular formula C19H40IN5O and a molecular weight of 481.47 g/mol. Its IUPAC name is 1-ethyl-2-(2-methyl-3-morpholin-4-ylpropyl)-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-2-(2-methyl-3-morpholin-4-ylpropyl)-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
PubChem CID111834490
Molecular FormulaC19H40IN5O
Molecular Weight481.47 g/mol
Exact Mass481.23
IUPAC Name1-ethyl-2-(2-methyl-3-morpholin-4-ylpropyl)-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
SMILESCCCN1CCC(N/C(=N/CC(C)CN2CCOCC2)NCC)CC1.I
InChIInChI=1S/C19H39N5O.HI/c1-4-8-23-9-6-18(7-10-23)22-19(20-5-2)21-15-17(3)16-24-11-13-25-14-12-24;/h17-18H,4-16H2,1-3H3,(H2,20,21,22);1H
InChIKeyBSXKMXFXUXNQOX-UHFFFAOYSA-N
XLogP2.00
TPSA52.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.47
LogP ≤ 52.00
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-2-(2-methyl-3-pyrrolidin-1-ylpropyl)-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111318311
1-ethyl-3-(4-methylcyclohexyl)-2-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111256896
1-cyclopentyl-3-ethyl-2-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]guanidine;hydroiodide
CID 110992426
1-ethyl-2-(2-methyl-3-morpholin-4-ylpropyl)-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111840470
1-ethyl-3-(4-hydroxycyclohexyl)-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide
CID 111190435
1-ethyl-2-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111019248
1-ethyl-2-(3-methylbutyl)-3-(1-propylpiperidin-4-yl)guanidine
CID 111018419
1-ethyl-2-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111019344
1-ethyl-2-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111017960
1-cyclopentyl-3-ethyl-2-(3-morpholin-4-ylpropyl)guanidine
CID 110990839
1-cyclohexyl-3-ethyl-2-(3-methyl-2-morpholin-4-ylbutyl)guanidine
CID 110959191
1-ethyl-2-(2-morpholin-4-ylpropyl)-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111318755

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(2-methyl-3-morpholin-4-ylpropyl)-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide?
The IUPAC name of 1-ethyl-2-(2-methyl-3-morpholin-4-ylpropyl)-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide (CID 111834490) is 1-ethyl-2-(2-methyl-3-morpholin-4-ylpropyl)-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-2-(2-methyl-3-morpholin-4-ylpropyl)-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide?
The canonical SMILES for 1-ethyl-2-(2-methyl-3-morpholin-4-ylpropyl)-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide is CCCN1CCC(N/C(=N/CC(C)CN2CCOCC2)NCC)CC1.I.
What is the InChIKey of 1-ethyl-2-(2-methyl-3-morpholin-4-ylpropyl)-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide?
The InChIKey is BSXKMXFXUXNQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39N5O.HI/c1-4-8-23-9-6-18(7-10-23)22-19(20-5-2)21-15-17(3)16-24-11-13-25-14-12-24;/h17-18H,4-16H2,1-3H3,(H2,20,21,22);1H.
What are the key properties of 1-ethyl-2-(2-methyl-3-morpholin-4-ylpropyl)-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide?
1-ethyl-2-(2-methyl-3-morpholin-4-ylpropyl)-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide has a molecular weight of 481.47 g/mol, XLogP of 2.00, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(2-methyl-3-morpholin-4-ylpropyl)-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide is sourced from PubChem (CID 111834490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).