1-hexyl-2-methyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide

C14H31IN4O — CID 111023845

IUPAC1-hexyl-2-methyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
SMILESCCCCCCN/C(=N\C)NCCN1CCOCC1.I
InChIInChI=1S/C14H30N4O.HI/c1-3-4-5-6-7-16-14(15-2)17-8-9-18-10-12-19-13-11-18;/h3-13H2,1-2H3,(H2,15,16,17);1H
InChIKeyRHONIFAJAPYDEF-UHFFFAOYSA-N
MW398.33 g/mol
LogP1.68
Rot. Bonds8

About 1-hexyl-2-methyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide

1-hexyl-2-methyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide (PubChem CID 111023845) has the molecular formula C14H31IN4O and a molecular weight of 398.33 g/mol. Its IUPAC name is 1-hexyl-2-methyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-hexyl-2-methyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
PubChem CID111023845
Molecular FormulaC14H31IN4O
Molecular Weight398.33 g/mol
Exact Mass398.15
IUPAC Name1-hexyl-2-methyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
SMILESCCCCCCN/C(=N\C)NCCN1CCOCC1.I
InChIInChI=1S/C14H30N4O.HI/c1-3-4-5-6-7-16-14(15-2)17-8-9-18-10-12-19-13-11-18;/h3-13H2,1-2H3,(H2,15,16,17);1H
InChIKeyRHONIFAJAPYDEF-UHFFFAOYSA-N
XLogP1.68
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.33
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-methyl-1-(4-morpholin-4-ylbutyl)-3-propylguanidine
CID 111227293
1-[2-[ethyl(propyl)amino]ethyl]-2-methyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111600549
1-(2-morpholin-4-ylethyl)-3-pentylurea
CID 108988288
1-hexyl-2-methyl-3-(4-pyrrolidin-1-ylbutyl)guanidine
CID 111161553
1-hexyl-2-methyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111161052
1-[4-(4-ethylpiperazin-1-yl)butyl]-3-hexyl-2-methylguanidine
CID 111160677
1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111035845
1-hexyl-2-methyl-3-(2-morpholin-4-ylsulfonylethyl)guanidine;hydroiodide
CID 111161840
2-methyl-1-pentyl-3-(3-pyrrolidin-1-ylpropyl)guanidine
CID 111129806
2-methyl-1-(2-methylpropyl)-3-(4-morpholin-4-ylbutyl)guanidine
CID 111178514
2-methyl-1-(5-methylhexyl)-3-(4-morpholin-4-ylbutyl)guanidine
CID 111580092
1-butyl-2-methyl-3-(2-methyl-3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111835246

Frequently Asked Questions

What is the IUPAC name of 1-hexyl-2-methyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide?
The IUPAC name of 1-hexyl-2-methyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide (CID 111023845) is 1-hexyl-2-methyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-hexyl-2-methyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide?
The canonical SMILES for 1-hexyl-2-methyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide is CCCCCCN/C(=N\C)NCCN1CCOCC1.I.
What is the InChIKey of 1-hexyl-2-methyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide?
The InChIKey is RHONIFAJAPYDEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4O.HI/c1-3-4-5-6-7-16-14(15-2)17-8-9-18-10-12-19-13-11-18;/h3-13H2,1-2H3,(H2,15,16,17);1H.
What are the key properties of 1-hexyl-2-methyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide?
1-hexyl-2-methyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide has a molecular weight of 398.33 g/mol, XLogP of 1.68, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-2-methyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide is sourced from PubChem (CID 111023845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).