2-(2-methylprop-2-enyl)-1-(4-morpholin-4-ylbutyl)guanidine;hydroiodide

C13H27IN4O — CID 111059920

IUPAC2-(2-methylprop-2-enyl)-1-(4-morpholin-4-ylbutyl)guanidine;hydroiodide
SMILESC=C(C)C/N=C(\N)NCCCCN1CCOCC1.I
InChIInChI=1S/C13H26N4O.HI/c1-12(2)11-16-13(14)15-5-3-4-6-17-7-9-18-10-8-17;/h1,3-11H2,2H3,(H3,14,15,16);1H
InChIKeyWJPQHBQRVRGBIT-UHFFFAOYSA-N
MW382.29 g/mol
LogP1.20
Rot. Bonds7

About 2-(2-methylprop-2-enyl)-1-(4-morpholin-4-ylbutyl)guanidine;hydroiodide

2-(2-methylprop-2-enyl)-1-(4-morpholin-4-ylbutyl)guanidine;hydroiodide (PubChem CID 111059920) has the molecular formula C13H27IN4O and a molecular weight of 382.29 g/mol. Its IUPAC name is 2-(2-methylprop-2-enyl)-1-(4-morpholin-4-ylbutyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-(2-methylprop-2-enyl)-1-(4-morpholin-4-ylbutyl)guanidine;hydroiodide
PubChem CID111059920
Molecular FormulaC13H27IN4O
Molecular Weight382.29 g/mol
Exact Mass382.12
IUPAC Name2-(2-methylprop-2-enyl)-1-(4-morpholin-4-ylbutyl)guanidine;hydroiodide
SMILESC=C(C)C/N=C(\N)NCCCCN1CCOCC1.I
InChIInChI=1S/C13H26N4O.HI/c1-12(2)11-16-13(14)15-5-3-4-6-17-7-9-18-10-8-17;/h1,3-11H2,2H3,(H3,14,15,16);1H
InChIKeyWJPQHBQRVRGBIT-UHFFFAOYSA-N
XLogP1.20
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.29
LogP ≤ 51.20
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(2-methylprop-2-enyl)-1-(5-piperidin-1-ylpentyl)guanidine
CID 111809668
1-(4-morpholin-4-ylbutyl)-2-propylguanidine;hydroiodide
CID 111059844
1-[3-(azepan-1-yl)propyl]-2-(2-methylprop-2-enyl)guanidine
CID 111029596
1-[2-(azepan-1-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 111057045
1-[2-(4-acetylpiperazin-1-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 111057483
2-[[amino-(3-morpholin-4-ylpropylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide
CID 111037016
tert-butyl N-[4-[[N'-(3-morpholin-4-ylpropyl)carbamimidoyl]amino]butyl]carbamate;hydroiodide
CID 110026996
2-(2-methylprop-2-enyl)-1-octylguanidine;hydroiodide
CID 109394322
1-(4-methylpentyl)-2-(3-morpholin-4-ylpropyl)guanidine
CID 111054905
1-(3-morpholin-4-ylpropyl)-2-(2,2,4-trimethylpentyl)guanidine;hydroiodide
CID 111911375
2-(2-methyl-2-methylsulfonylpropyl)-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111752129
1,2-bis(2-morpholin-4-ylethyl)guanidine
CID 141003386

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-2-enyl)-1-(4-morpholin-4-ylbutyl)guanidine;hydroiodide?
The IUPAC name of 2-(2-methylprop-2-enyl)-1-(4-morpholin-4-ylbutyl)guanidine;hydroiodide (CID 111059920) is 2-(2-methylprop-2-enyl)-1-(4-morpholin-4-ylbutyl)guanidine;hydroiodide.
What is the SMILES notation for 2-(2-methylprop-2-enyl)-1-(4-morpholin-4-ylbutyl)guanidine;hydroiodide?
The canonical SMILES for 2-(2-methylprop-2-enyl)-1-(4-morpholin-4-ylbutyl)guanidine;hydroiodide is C=C(C)C/N=C(\N)NCCCCN1CCOCC1.I.
What is the InChIKey of 2-(2-methylprop-2-enyl)-1-(4-morpholin-4-ylbutyl)guanidine;hydroiodide?
The InChIKey is WJPQHBQRVRGBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O.HI/c1-12(2)11-16-13(14)15-5-3-4-6-17-7-9-18-10-8-17;/h1,3-11H2,2H3,(H3,14,15,16);1H.
What are the key properties of 2-(2-methylprop-2-enyl)-1-(4-morpholin-4-ylbutyl)guanidine;hydroiodide?
2-(2-methylprop-2-enyl)-1-(4-morpholin-4-ylbutyl)guanidine;hydroiodide has a molecular weight of 382.29 g/mol, XLogP of 1.20, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-2-enyl)-1-(4-morpholin-4-ylbutyl)guanidine;hydroiodide is sourced from PubChem (CID 111059920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).