1-(4-methylpentyl)-2-(3-morpholin-4-ylpropyl)guanidine

C14H30N4O — CID 111054905

IUPAC1-(4-methylpentyl)-2-(3-morpholin-4-ylpropyl)guanidine
SMILESCC(C)CCCN/C(N)=N/CCCN1CCOCC1
InChIInChI=1S/C14H30N4O/c1-13(2)5-3-6-16-14(15)17-7-4-8-18-9-11-19-12-10-18/h13H,3-12H2,1-2H3,(H3,15,16,17)
InChIKeyJAOUDLHPUNINEO-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.05
Rot. Bonds8

About 1-(4-methylpentyl)-2-(3-morpholin-4-ylpropyl)guanidine

1-(4-methylpentyl)-2-(3-morpholin-4-ylpropyl)guanidine (PubChem CID 111054905) has the molecular formula C14H30N4O and a molecular weight of 270.42 g/mol. Its IUPAC name is 1-(4-methylpentyl)-2-(3-morpholin-4-ylpropyl)guanidine.

Molecular Properties

Compound Name1-(4-methylpentyl)-2-(3-morpholin-4-ylpropyl)guanidine
PubChem CID111054905
Molecular FormulaC14H30N4O
Molecular Weight270.42 g/mol
Exact Mass270.24
IUPAC Name1-(4-methylpentyl)-2-(3-morpholin-4-ylpropyl)guanidine
SMILESCC(C)CCCN/C(N)=N/CCCN1CCOCC1
InChIInChI=1S/C14H30N4O/c1-13(2)5-3-6-16-14(15)17-7-4-8-18-9-11-19-12-10-18/h13H,3-12H2,1-2H3,(H3,15,16,17)
InChIKeyJAOUDLHPUNINEO-UHFFFAOYSA-N
XLogP1.05
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.05
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'}

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Related Compounds

1-[2-(3-methylbutoxy)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine
CID 111074957
2-[3-(2-methylpropoxy)propyl]-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111035643
1-[2-(azepan-1-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111057007
1-(4-morpholin-4-ylbutyl)-2-propylguanidine;hydroiodide
CID 111059844
2-[3-(3-methylpiperidin-1-yl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111056935
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-cyclopentylpropyl)-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111062761
1-(3-morpholin-4-ylpropyl)-2-(2,2,4-trimethylpentyl)guanidine;hydroiodide
CID 111911375
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
2-[3-(4-hydroxypiperidin-1-yl)propyl]-1-(3-methylbutyl)guanidine;hydroiodide
CID 111057067

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpentyl)-2-(3-morpholin-4-ylpropyl)guanidine?
The IUPAC name of 1-(4-methylpentyl)-2-(3-morpholin-4-ylpropyl)guanidine (CID 111054905) is 1-(4-methylpentyl)-2-(3-morpholin-4-ylpropyl)guanidine.
What is the SMILES notation for 1-(4-methylpentyl)-2-(3-morpholin-4-ylpropyl)guanidine?
The canonical SMILES for 1-(4-methylpentyl)-2-(3-morpholin-4-ylpropyl)guanidine is CC(C)CCCN/C(N)=N/CCCN1CCOCC1.
What is the InChIKey of 1-(4-methylpentyl)-2-(3-morpholin-4-ylpropyl)guanidine?
The InChIKey is JAOUDLHPUNINEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4O/c1-13(2)5-3-6-16-14(15)17-7-4-8-18-9-11-19-12-10-18/h13H,3-12H2,1-2H3,(H3,15,16,17).
What are the key properties of 1-(4-methylpentyl)-2-(3-morpholin-4-ylpropyl)guanidine?
1-(4-methylpentyl)-2-(3-morpholin-4-ylpropyl)guanidine has a molecular weight of 270.42 g/mol, XLogP of 1.05, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpentyl)-2-(3-morpholin-4-ylpropyl)guanidine is sourced from PubChem (CID 111054905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).