1-butyl-3-[2-(furan-2-yl)ethyl]-1-methyl-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide

C19H35IN4O2 — CID 111159408

IUPAC1-butyl-3-[2-(furan-2-yl)ethyl]-1-methyl-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
SMILESCCCCN(C)/C(=N\CCCN1CCOCC1)NCCc1ccco1.I
InChIInChI=1S/C19H34N4O2.HI/c1-3-4-11-22(2)19(21-10-8-18-7-5-15-25-18)20-9-6-12-23-13-16-24-17-14-23;/h5,7,15H,3-4,6,8-14,16-17H2,1-2H3,(H,20,21);1H
InChIKeyKVXOSXQSLNWUGZ-UHFFFAOYSA-N
MW478.42 g/mol
LogP2.84
Rot. Bonds10

About 1-butyl-3-[2-(furan-2-yl)ethyl]-1-methyl-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide

1-butyl-3-[2-(furan-2-yl)ethyl]-1-methyl-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide (PubChem CID 111159408) has the molecular formula C19H35IN4O2 and a molecular weight of 478.42 g/mol. Its IUPAC name is 1-butyl-3-[2-(furan-2-yl)ethyl]-1-methyl-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-butyl-3-[2-(furan-2-yl)ethyl]-1-methyl-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
PubChem CID111159408
Molecular FormulaC19H35IN4O2
Molecular Weight478.42 g/mol
Exact Mass478.18
IUPAC Name1-butyl-3-[2-(furan-2-yl)ethyl]-1-methyl-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
SMILESCCCCN(C)/C(=N\CCCN1CCOCC1)NCCc1ccco1.I
InChIInChI=1S/C19H34N4O2.HI/c1-3-4-11-22(2)19(21-10-8-18-7-5-15-25-18)20-9-6-12-23-13-16-24-17-14-23;/h5,7,15H,3-4,6,8-14,16-17H2,1-2H3,(H,20,21);1H
InChIKeyKVXOSXQSLNWUGZ-UHFFFAOYSA-N
XLogP2.84
TPSA53.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.42
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

1-butyl-3-[2-(furan-2-yl)ethyl]-1-methyl-2-(3-morpholin-4-ylpropyl)guanidine
CID 111159409
1-[(3-fluorophenyl)methyl]-3-[2-(furan-2-yl)ethyl]-1-methyl-2-(3-morpholin-4-ylpropyl)guanidine
CID 111285345
1-[2-(furan-2-yl)ethyl]-3-(3-morpholin-4-ylpropyl)-2-propylguanidine
CID 111226057
1-butyl-3-[2-(furan-2-yl)ethyl]-1-methyl-2-(2-methylpropyl)guanidine
CID 110053342
N-[2-(furan-2-yl)ethyl]-3,5-dimethyl-N'-(3-morpholin-4-ylpropyl)piperidine-1-carboximidamide
CID 111153989
1-[2-(furan-2-yl)ethyl]-3-(2-methylcyclopropyl)-2-(3-morpholin-4-ylpropyl)guanidine
CID 111356262
1-[2-(furan-2-yl)ethyl]-2-(3-methoxypropyl)-3-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 110975840
ethyl 4-[N-[2-(furan-2-yl)ethyl]-N'-(3-morpholin-4-ylpropyl)carbamimidoyl]piperazine-1-carboxylate
CID 111163869
3-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-1-(furan-2-ylmethyl)-1-methyl-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111515462
1-[2-(furan-2-yl)ethyl]-2-methyl-3-(4-morpholin-4-ylbutyl)guanidine;hydroiodide
CID 111355359
1-[2-(furan-2-yl)ethyl]-2-(furan-2-ylmethyl)-3-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 110938477
1-[2-(furan-2-yl)ethyl]-2-(3-morpholin-4-ylpropyl)-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111317021

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-[2-(furan-2-yl)ethyl]-1-methyl-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide?
The IUPAC name of 1-butyl-3-[2-(furan-2-yl)ethyl]-1-methyl-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide (CID 111159408) is 1-butyl-3-[2-(furan-2-yl)ethyl]-1-methyl-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide.
What is the SMILES notation for 1-butyl-3-[2-(furan-2-yl)ethyl]-1-methyl-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide?
The canonical SMILES for 1-butyl-3-[2-(furan-2-yl)ethyl]-1-methyl-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide is CCCCN(C)/C(=N\CCCN1CCOCC1)NCCc1ccco1.I.
What is the InChIKey of 1-butyl-3-[2-(furan-2-yl)ethyl]-1-methyl-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide?
The InChIKey is KVXOSXQSLNWUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4O2.HI/c1-3-4-11-22(2)19(21-10-8-18-7-5-15-25-18)20-9-6-12-23-13-16-24-17-14-23;/h5,7,15H,3-4,6,8-14,16-17H2,1-2H3,(H,20,21);1H.
What are the key properties of 1-butyl-3-[2-(furan-2-yl)ethyl]-1-methyl-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide?
1-butyl-3-[2-(furan-2-yl)ethyl]-1-methyl-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide has a molecular weight of 478.42 g/mol, XLogP of 2.84, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-[2-(furan-2-yl)ethyl]-1-methyl-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide is sourced from PubChem (CID 111159408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).