2-[2-(diethylamino)propyl]-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide

C16H36IN5O — CID 111187880

IUPAC2-[2-(diethylamino)propyl]-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
SMILESCCN/C(=N\CC(C)N(CC)CC)NCCN1CCOCC1.I
InChIInChI=1S/C16H35N5O.HI/c1-5-17-16(19-14-15(4)21(6-2)7-3)18-8-9-20-10-12-22-13-11-20;/h15H,5-14H2,1-4H3,(H2,17,18,19);1H
InChIKeyHIYGPKTWEUVCCM-UHFFFAOYSA-N
MW441.40 g/mol
LogP1.22
Rot. Bonds9

About 2-[2-(diethylamino)propyl]-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide

2-[2-(diethylamino)propyl]-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide (PubChem CID 111187880) has the molecular formula C16H36IN5O and a molecular weight of 441.40 g/mol. Its IUPAC name is 2-[2-(diethylamino)propyl]-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-(diethylamino)propyl]-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
PubChem CID111187880
Molecular FormulaC16H36IN5O
Molecular Weight441.40 g/mol
Exact Mass441.20
IUPAC Name2-[2-(diethylamino)propyl]-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
SMILESCCN/C(=N\CC(C)N(CC)CC)NCCN1CCOCC1.I
InChIInChI=1S/C16H35N5O.HI/c1-5-17-16(19-14-15(4)21(6-2)7-3)18-8-9-20-10-12-22-13-11-20;/h15H,5-14H2,1-4H3,(H2,17,18,19);1H
InChIKeyHIYGPKTWEUVCCM-UHFFFAOYSA-N
XLogP1.22
TPSA52.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.40
LogP ≤ 51.22
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-[2-(diethylamino)propyl]-1-ethyl-3-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 110971690
1-ethyl-2-(3-methyl-2-morpholin-4-ylbutyl)-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111188264
1-ethyl-2-(2-methyl-3-morpholin-4-ylpropyl)-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111840470
1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111188064
1-ethyl-2-(3-methyl-2-morpholin-4-ylbutyl)-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111417114
1-ethyl-2-(2-methoxy-3,3-dimethylbutyl)-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111709662
1-ethyl-2-(3-methyl-2-morpholin-4-ylbutyl)-3-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 110972920
2-[2-[cyclopropyl(methyl)amino]propyl]-1-ethyl-3-(3-morpholin-4-ylpropyl)guanidine
CID 110972703
2-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111187274
1-ethyl-3-(2-morpholin-4-ylethyl)-2-(2-morpholin-4-yl-2-phenylethyl)guanidine;hydroiodide
CID 111188142
1-ethyl-2-[2-(2-methylpiperidin-1-yl)propyl]-3-(2-morpholin-4-ylethyl)guanidine
CID 111187385
1-[2-[di(propan-2-yl)amino]ethyl]-3-ethyl-2-(2-morpholin-4-ylethyl)guanidine
CID 111187173

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)propyl]-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide?
The IUPAC name of 2-[2-(diethylamino)propyl]-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide (CID 111187880) is 2-[2-(diethylamino)propyl]-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide.
What is the SMILES notation for 2-[2-(diethylamino)propyl]-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide?
The canonical SMILES for 2-[2-(diethylamino)propyl]-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide is CCN/C(=N\CC(C)N(CC)CC)NCCN1CCOCC1.I.
What is the InChIKey of 2-[2-(diethylamino)propyl]-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide?
The InChIKey is HIYGPKTWEUVCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N5O.HI/c1-5-17-16(19-14-15(4)21(6-2)7-3)18-8-9-20-10-12-22-13-11-20;/h15H,5-14H2,1-4H3,(H2,17,18,19);1H.
What are the key properties of 2-[2-(diethylamino)propyl]-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide?
2-[2-(diethylamino)propyl]-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide has a molecular weight of 441.40 g/mol, XLogP of 1.22, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)propyl]-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide is sourced from PubChem (CID 111187880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).