1-cyclopentyl-2-methyl-3-[3-(oxan-4-yloxy)propyl]guanidine

C15H29N3O2 — CID 111771266

IUPAC1-cyclopentyl-2-methyl-3-[3-(oxan-4-yloxy)propyl]guanidine
SMILESC/N=C(\NCCCOC1CCOCC1)NC1CCCC1
InChIInChI=1S/C15H29N3O2/c1-16-15(18-13-5-2-3-6-13)17-9-4-10-20-14-7-11-19-12-8-14/h13-14H,2-12H2,1H3,(H2,16,17,18)
InChIKeyURSZCDRZQIFXHQ-UHFFFAOYSA-N
MW283.42 g/mol
LogP1.68
Rot. Bonds6

About 1-cyclopentyl-2-methyl-3-[3-(oxan-4-yloxy)propyl]guanidine

1-cyclopentyl-2-methyl-3-[3-(oxan-4-yloxy)propyl]guanidine (PubChem CID 111771266) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 1-cyclopentyl-2-methyl-3-[3-(oxan-4-yloxy)propyl]guanidine.

Molecular Properties

Compound Name1-cyclopentyl-2-methyl-3-[3-(oxan-4-yloxy)propyl]guanidine
PubChem CID111771266
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name1-cyclopentyl-2-methyl-3-[3-(oxan-4-yloxy)propyl]guanidine
SMILESC/N=C(\NCCCOC1CCOCC1)NC1CCCC1
InChIInChI=1S/C15H29N3O2/c1-16-15(18-13-5-2-3-6-13)17-9-4-10-20-14-7-11-19-12-8-14/h13-14H,2-12H2,1H3,(H2,16,17,18)
InChIKeyURSZCDRZQIFXHQ-UHFFFAOYSA-N
XLogP1.68
TPSA54.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
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'}

Analyze 1-cyclopentyl-2-methyl-3-[3-(oxan-4-yloxy)propyl]guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclohexyl-3-(3-cyclopentyloxypropyl)-2-methylguanidine
CID 110957884
1-(3-butoxypropyl)-2-methyl-3-[3-(oxan-4-yloxy)propyl]guanidine;hydroiodide
CID 111667745
2-methyl-1-[3-(oxan-4-yloxy)propyl]-3-prop-2-enylguanidine
CID 111667444
tert-butyl 3-[[N'-methyl-N-[3-(oxan-4-yloxy)propyl]carbamimidoyl]amino]azetidine-1-carboxylate;hydroiodide
CID 109466445
1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[3-(oxan-4-yloxy)propyl]guanidine;hydroiodide
CID 109470983
1-(3,3-diphenylpropyl)-2-methyl-3-[3-(oxan-4-yloxy)propyl]guanidine
CID 111667718
N'-methyl-N-[3-(oxan-4-yloxy)propyl]-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboximidamide
CID 109442809
2-methyl-1-[3-(4-methylpiperidin-1-yl)propyl]-3-[3-(oxan-4-yloxy)propyl]guanidine
CID 111667466
1-(3-cyclohexyloxypropyl)-2-methyl-3-(2-methylpropyl)guanidine
CID 111178790
2-methyl-1-[(4-methylphenyl)methyl]-3-[3-(oxan-4-yloxy)propyl]guanidine
CID 111667350
1-(3-cyclopentyloxypropyl)-2-methyl-3-(4-methylpentyl)guanidine
CID 111943805
1-(3-cyclohexyloxypropyl)-3-(3-ethylsulfinylcyclohexyl)-2-methylguanidine;hydroiodide
CID 109441172

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-methyl-3-[3-(oxan-4-yloxy)propyl]guanidine?
The IUPAC name of 1-cyclopentyl-2-methyl-3-[3-(oxan-4-yloxy)propyl]guanidine (CID 111771266) is 1-cyclopentyl-2-methyl-3-[3-(oxan-4-yloxy)propyl]guanidine.
What is the SMILES notation for 1-cyclopentyl-2-methyl-3-[3-(oxan-4-yloxy)propyl]guanidine?
The canonical SMILES for 1-cyclopentyl-2-methyl-3-[3-(oxan-4-yloxy)propyl]guanidine is C/N=C(\NCCCOC1CCOCC1)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-methyl-3-[3-(oxan-4-yloxy)propyl]guanidine?
The InChIKey is URSZCDRZQIFXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-16-15(18-13-5-2-3-6-13)17-9-4-10-20-14-7-11-19-12-8-14/h13-14H,2-12H2,1H3,(H2,16,17,18).
What are the key properties of 1-cyclopentyl-2-methyl-3-[3-(oxan-4-yloxy)propyl]guanidine?
1-cyclopentyl-2-methyl-3-[3-(oxan-4-yloxy)propyl]guanidine has a molecular weight of 283.42 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-methyl-3-[3-(oxan-4-yloxy)propyl]guanidine is sourced from PubChem (CID 111771266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).