1-cyclohexyl-3-(3-cyclopentyloxypropyl)-2-methylguanidine

C16H31N3O — CID 110957884

IUPAC1-cyclohexyl-3-(3-cyclopentyloxypropyl)-2-methylguanidine
SMILESC/N=C(\NCCCOC1CCCC1)NC1CCCCC1
InChIInChI=1S/C16H31N3O/c1-17-16(19-14-8-3-2-4-9-14)18-12-7-13-20-15-10-5-6-11-15/h14-15H,2-13H2,1H3,(H2,17,18,19)
InChIKeyVJATWHFGPLHMKC-UHFFFAOYSA-N
MW281.44 g/mol
LogP2.83
Rot. Bonds6

About 1-cyclohexyl-3-(3-cyclopentyloxypropyl)-2-methylguanidine

1-cyclohexyl-3-(3-cyclopentyloxypropyl)-2-methylguanidine (PubChem CID 110957884) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 1-cyclohexyl-3-(3-cyclopentyloxypropyl)-2-methylguanidine.

Molecular Properties

Compound Name1-cyclohexyl-3-(3-cyclopentyloxypropyl)-2-methylguanidine
PubChem CID110957884
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name1-cyclohexyl-3-(3-cyclopentyloxypropyl)-2-methylguanidine
SMILESC/N=C(\NCCCOC1CCCC1)NC1CCCCC1
InChIInChI=1S/C16H31N3O/c1-17-16(19-14-8-3-2-4-9-14)18-12-7-13-20-15-10-5-6-11-15/h14-15H,2-13H2,1H3,(H2,17,18,19)
InChIKeyVJATWHFGPLHMKC-UHFFFAOYSA-N
XLogP2.83
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-cyclopentyl-2-methyl-3-[3-(oxan-4-yloxy)propyl]guanidine
CID 111771266
1-(3-cyclohexyloxypropyl)-2-methyl-3-(2-methylpropyl)guanidine
CID 111178790
1-(3-cyclohexyloxypropyl)-3-(3-ethylsulfinylcyclohexyl)-2-methylguanidine;hydroiodide
CID 109441172
1-(3-cyclohexyloxypropyl)-2-methyl-3-[3-(2-methylpropoxy)propyl]guanidine
CID 111398059
1-(3-cyclopentyloxypropyl)-2-methyl-3-(4-methylpentyl)guanidine
CID 111943805
1-(3-cyclopentyloxypropyl)-2-methyl-3-(2-methylsulfanylethyl)guanidine
CID 111346015
1-(3-cyclopentyloxypropyl)-3-(4-ethoxybutyl)-2-methylguanidine
CID 111946277
1-(3-cyclopentyloxypropyl)-3-(2-methoxy-2-methylpropyl)-2-methylguanidine
CID 111607727
1-(3-cyclohexyloxypropyl)-2-methyl-3-[3-(2,2,2-trifluoroethoxy)propyl]guanidine
CID 111398101
1-(3-cyclopentyloxypropyl)-2-methyl-3-(2-piperidin-1-ylethyl)guanidine
CID 111417031
1-(4-cycloheptyloxybutyl)-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine
CID 111768729
1-cyclohexyl-3-[4-(2-methoxyethoxy)butyl]-2-methylguanidine
CID 110958357

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(3-cyclopentyloxypropyl)-2-methylguanidine?
The IUPAC name of 1-cyclohexyl-3-(3-cyclopentyloxypropyl)-2-methylguanidine (CID 110957884) is 1-cyclohexyl-3-(3-cyclopentyloxypropyl)-2-methylguanidine.
What is the SMILES notation for 1-cyclohexyl-3-(3-cyclopentyloxypropyl)-2-methylguanidine?
The canonical SMILES for 1-cyclohexyl-3-(3-cyclopentyloxypropyl)-2-methylguanidine is C/N=C(\NCCCOC1CCCC1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(3-cyclopentyloxypropyl)-2-methylguanidine?
The InChIKey is VJATWHFGPLHMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-17-16(19-14-8-3-2-4-9-14)18-12-7-13-20-15-10-5-6-11-15/h14-15H,2-13H2,1H3,(H2,17,18,19).
What are the key properties of 1-cyclohexyl-3-(3-cyclopentyloxypropyl)-2-methylguanidine?
1-cyclohexyl-3-(3-cyclopentyloxypropyl)-2-methylguanidine has a molecular weight of 281.44 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(3-cyclopentyloxypropyl)-2-methylguanidine is sourced from PubChem (CID 110957884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).