1-ethyl-2-[(4-methylmorpholin-2-yl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide

C17H36IN5O — CID 111316405

IUPAC1-ethyl-2-[(4-methylmorpholin-2-yl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
SMILESCCN/C(=N\CC1CN(C)CCO1)NC1CCN(C(C)C)CC1.I
InChIInChI=1S/C17H35N5O.HI/c1-5-18-17(19-12-16-13-21(4)10-11-23-16)20-15-6-8-22(9-7-15)14(2)3;/h14-16H,5-13H2,1-4H3,(H2,18,19,20);1H
InChIKeyFEKCMKFFUIURBB-UHFFFAOYSA-N
MW453.41 g/mol
LogP1.36
Rot. Bonds5

About 1-ethyl-2-[(4-methylmorpholin-2-yl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide

1-ethyl-2-[(4-methylmorpholin-2-yl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide (PubChem CID 111316405) has the molecular formula C17H36IN5O and a molecular weight of 453.41 g/mol. Its IUPAC name is 1-ethyl-2-[(4-methylmorpholin-2-yl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-2-[(4-methylmorpholin-2-yl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
PubChem CID111316405
Molecular FormulaC17H36IN5O
Molecular Weight453.41 g/mol
Exact Mass453.20
IUPAC Name1-ethyl-2-[(4-methylmorpholin-2-yl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
SMILESCCN/C(=N\CC1CN(C)CCO1)NC1CCN(C(C)C)CC1.I
InChIInChI=1S/C17H35N5O.HI/c1-5-18-17(19-12-16-13-21(4)10-11-23-16)20-15-6-8-22(9-7-15)14(2)3;/h14-16H,5-13H2,1-4H3,(H2,18,19,20);1H
InChIKeyFEKCMKFFUIURBB-UHFFFAOYSA-N
XLogP1.36
TPSA52.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.41
LogP ≤ 51.36
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

2-methyl-1-[(4-methylmorpholin-2-yl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine
CID 111319178
1-cyclohexyl-3-ethyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine;hydroiodide
CID 110958750
1-butan-2-yl-3-ethyl-2-[(4-methylmorpholin-2-yl)methyl]guanidine
CID 110944454
1-cyclohexyl-3-ethyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine
CID 110958751
1-ethyl-3-(1-propan-2-ylpiperidin-4-yl)-2-propylguanidine
CID 111318542
1-ethyl-3-(2-methylcyclopropyl)-2-[(4-methylmorpholin-2-yl)methyl]guanidine
CID 111963431
1-ethyl-3-(3-methylbutyl)-2-[(4-methylmorpholin-2-yl)methyl]guanidine
CID 110978053
1-ethyl-2-methyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111317343
1-ethyl-2-(2-morpholin-4-ylpropyl)-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111318755
1-ethyl-2-[3-(oxolan-2-ylmethoxy)propyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine
CID 111316586
1-ethyl-2-(3-hydroxy-2-methylpropyl)-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111319397
1-ethyl-2-methyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine
CID 111317344

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[(4-methylmorpholin-2-yl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide?
The IUPAC name of 1-ethyl-2-[(4-methylmorpholin-2-yl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide (CID 111316405) is 1-ethyl-2-[(4-methylmorpholin-2-yl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-2-[(4-methylmorpholin-2-yl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide?
The canonical SMILES for 1-ethyl-2-[(4-methylmorpholin-2-yl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide is CCN/C(=N\CC1CN(C)CCO1)NC1CCN(C(C)C)CC1.I.
What is the InChIKey of 1-ethyl-2-[(4-methylmorpholin-2-yl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide?
The InChIKey is FEKCMKFFUIURBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N5O.HI/c1-5-18-17(19-12-16-13-21(4)10-11-23-16)20-15-6-8-22(9-7-15)14(2)3;/h14-16H,5-13H2,1-4H3,(H2,18,19,20);1H.
What are the key properties of 1-ethyl-2-[(4-methylmorpholin-2-yl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide?
1-ethyl-2-[(4-methylmorpholin-2-yl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide has a molecular weight of 453.41 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[(4-methylmorpholin-2-yl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide is sourced from PubChem (CID 111316405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).