1-[2-(3-methylbutoxy)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine

C15H32N4O2 — CID 111074957

IUPAC1-[2-(3-methylbutoxy)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine
SMILESCC(C)CCOCCN/C(N)=N/CCCN1CCOCC1
InChIInChI=1S/C15H32N4O2/c1-14(2)4-10-20-11-6-18-15(16)17-5-3-7-19-8-12-21-13-9-19/h14H,3-13H2,1-2H3,(H3,16,17,18)
InChIKeyYSZBLYMIEBKUBD-UHFFFAOYSA-N
MW300.45 g/mol
LogP0.68
Rot. Bonds10

About 1-[2-(3-methylbutoxy)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine

1-[2-(3-methylbutoxy)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine (PubChem CID 111074957) has the molecular formula C15H32N4O2 and a molecular weight of 300.45 g/mol. Its IUPAC name is 1-[2-(3-methylbutoxy)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine.

Molecular Properties

Compound Name1-[2-(3-methylbutoxy)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine
PubChem CID111074957
Molecular FormulaC15H32N4O2
Molecular Weight300.45 g/mol
Exact Mass300.25
IUPAC Name1-[2-(3-methylbutoxy)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine
SMILESCC(C)CCOCCN/C(N)=N/CCCN1CCOCC1
InChIInChI=1S/C15H32N4O2/c1-14(2)4-10-20-11-6-18-15(16)17-5-3-7-19-8-12-21-13-9-19/h14H,3-13H2,1-2H3,(H3,16,17,18)
InChIKeyYSZBLYMIEBKUBD-UHFFFAOYSA-N
XLogP0.68
TPSA72.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 50.68
H-Bond Donors ≤ 52
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'}

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Related Compounds

1-(4-methylpentyl)-2-(3-morpholin-4-ylpropyl)guanidine
CID 111054905
2-[3-(2-methylpropoxy)propyl]-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111035643
1-[2-(4-methoxyphenoxy)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine
CID 111036224
1-[2-(azepan-1-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111057007
1-[2-[4-(2-methylpropoxy)phenyl]ethyl]-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111806293
1-[2-(4-methylpiperidin-1-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111056682
1,2-bis(2-morpholin-4-ylethyl)guanidine
CID 141003386
1-(3-morpholin-4-ylpropyl)-2-[3-(2-phenylethoxy)propyl]guanidine;hydroiodide
CID 111074310
2-(3-morpholin-4-ylpropyl)-1-[4-(2-phenylethoxy)butyl]guanidine;hydroiodide
CID 111068945
tert-butyl N-[4-[[N'-(3-morpholin-4-ylpropyl)carbamimidoyl]amino]butyl]carbamate;hydroiodide
CID 110026996
1-[2-(3-methylpiperidin-1-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine
CID 111056854
1-(4-morpholin-4-ylbutyl)-2-propylguanidine;hydroiodide
CID 111059844

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methylbutoxy)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine?
The IUPAC name of 1-[2-(3-methylbutoxy)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine (CID 111074957) is 1-[2-(3-methylbutoxy)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine.
What is the SMILES notation for 1-[2-(3-methylbutoxy)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine?
The canonical SMILES for 1-[2-(3-methylbutoxy)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine is CC(C)CCOCCN/C(N)=N/CCCN1CCOCC1.
What is the InChIKey of 1-[2-(3-methylbutoxy)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine?
The InChIKey is YSZBLYMIEBKUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4O2/c1-14(2)4-10-20-11-6-18-15(16)17-5-3-7-19-8-12-21-13-9-19/h14H,3-13H2,1-2H3,(H3,16,17,18).
What are the key properties of 1-[2-(3-methylbutoxy)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine?
1-[2-(3-methylbutoxy)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine has a molecular weight of 300.45 g/mol, XLogP of 0.68, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methylbutoxy)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine is sourced from PubChem (CID 111074957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).