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

C15H34IN5O — CID 111600549

IUPAC1-[2-[ethyl(propyl)amino]ethyl]-2-methyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
SMILESCCCN(CC)CCN/C(=N\C)NCCN1CCOCC1.I
InChIInChI=1S/C15H33N5O.HI/c1-4-8-19(5-2)9-6-17-15(16-3)18-7-10-20-11-13-21-14-12-20;/h4-14H2,1-3H3,(H2,16,17,18);1H
InChIKeyVPDGPORJACGJBJ-UHFFFAOYSA-N
MW427.38 g/mol
LogP0.83
Rot. Bonds9

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

1-[2-[ethyl(propyl)amino]ethyl]-2-methyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide (PubChem CID 111600549) has the molecular formula C15H34IN5O and a molecular weight of 427.38 g/mol. Its IUPAC name is 1-[2-[ethyl(propyl)amino]ethyl]-2-methyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-[2-[ethyl(propyl)amino]ethyl]-2-methyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
PubChem CID111600549
Molecular FormulaC15H34IN5O
Molecular Weight427.38 g/mol
Exact Mass427.18
IUPAC Name1-[2-[ethyl(propyl)amino]ethyl]-2-methyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
SMILESCCCN(CC)CCN/C(=N\C)NCCN1CCOCC1.I
InChIInChI=1S/C15H33N5O.HI/c1-4-8-19(5-2)9-6-17-15(16-3)18-7-10-20-11-13-21-14-12-20;/h4-14H2,1-3H3,(H2,16,17,18);1H
InChIKeyVPDGPORJACGJBJ-UHFFFAOYSA-N
XLogP0.83
TPSA52.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.38
LogP ≤ 50.83
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-hexyl-2-methyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111023845
1-[2-[ethyl(propyl)amino]ethyl]-2-methyl-3-propylguanidine;hydroiodide
CID 111836452
1-[2-[ethyl(propyl)amino]ethyl]-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111600589
N,N-diethyl-3-[[N'-methyl-N-(2-morpholin-4-ylethyl)carbamimidoyl]amino]propanamide
CID 75532926
2-methyl-1-(4-morpholin-4-ylbutyl)-3-propylguanidine
CID 111227293
N-[2-[[N'-methyl-N-(2-morpholin-4-ylethyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 111030584
1-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-2-methyl-3-(2-morpholin-4-ylethyl)guanidine
CID 111053107
2-methyl-1-[(4-methylsulfanyloxan-4-yl)methyl]-3-(2-morpholin-4-ylethyl)guanidine
CID 111511906
1-[2-(4-ethylpiperazin-1-yl)propyl]-2-methyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111056108
2-methyl-1-[2-(2-methylpiperidin-1-yl)ethyl]-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111056809
1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111035845
1-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-2-methyl-3-(2-morpholin-4-ylethyl)guanidine
CID 111511876

Frequently Asked Questions

What is the IUPAC name of 1-[2-[ethyl(propyl)amino]ethyl]-2-methyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide?
The IUPAC name of 1-[2-[ethyl(propyl)amino]ethyl]-2-methyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide (CID 111600549) is 1-[2-[ethyl(propyl)amino]ethyl]-2-methyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-[2-[ethyl(propyl)amino]ethyl]-2-methyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide?
The canonical SMILES for 1-[2-[ethyl(propyl)amino]ethyl]-2-methyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide is CCCN(CC)CCN/C(=N\C)NCCN1CCOCC1.I.
What is the InChIKey of 1-[2-[ethyl(propyl)amino]ethyl]-2-methyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide?
The InChIKey is VPDGPORJACGJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N5O.HI/c1-4-8-19(5-2)9-6-17-15(16-3)18-7-10-20-11-13-21-14-12-20;/h4-14H2,1-3H3,(H2,16,17,18);1H.
What are the key properties of 1-[2-[ethyl(propyl)amino]ethyl]-2-methyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide?
1-[2-[ethyl(propyl)amino]ethyl]-2-methyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide has a molecular weight of 427.38 g/mol, XLogP of 0.83, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[ethyl(propyl)amino]ethyl]-2-methyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide is sourced from PubChem (CID 111600549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).