1-(3-cyclohexyloxypropyl)-2-methyl-3-(2-methylpropyl)guanidine

C15H31N3O — CID 111178790

IUPAC1-(3-cyclohexyloxypropyl)-2-methyl-3-(2-methylpropyl)guanidine
SMILESC/N=C(/NCCCOC1CCCCC1)NCC(C)C
InChIInChI=1S/C15H31N3O/c1-13(2)12-18-15(16-3)17-10-7-11-19-14-8-5-4-6-9-14/h13-14H,4-12H2,1-3H3,(H2,16,17,18)
InChIKeyKEGLXOIKHSZPAL-UHFFFAOYSA-N
MW269.43 g/mol
LogP2.55
Rot. Bonds7

About 1-(3-cyclohexyloxypropyl)-2-methyl-3-(2-methylpropyl)guanidine

1-(3-cyclohexyloxypropyl)-2-methyl-3-(2-methylpropyl)guanidine (PubChem CID 111178790) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 1-(3-cyclohexyloxypropyl)-2-methyl-3-(2-methylpropyl)guanidine.

Molecular Properties

Compound Name1-(3-cyclohexyloxypropyl)-2-methyl-3-(2-methylpropyl)guanidine
PubChem CID111178790
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name1-(3-cyclohexyloxypropyl)-2-methyl-3-(2-methylpropyl)guanidine
SMILESC/N=C(/NCCCOC1CCCCC1)NCC(C)C
InChIInChI=1S/C15H31N3O/c1-13(2)12-18-15(16-3)17-10-7-11-19-14-8-5-4-6-9-14/h13-14H,4-12H2,1-3H3,(H2,16,17,18)
InChIKeyKEGLXOIKHSZPAL-UHFFFAOYSA-N
XLogP2.55
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 52.55
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-(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-cyclohexyloxypropyl)-2-methyl-3-[4-[methyl(propan-2-yl)amino]butyl]guanidine
CID 111397047
1-(3-cyclopentyloxypropyl)-3-[3-[di(propan-2-yl)amino]propyl]-2-methylguanidine
CID 111692188
1-cyclohexyl-3-(3-cyclopentyloxypropyl)-2-methylguanidine
CID 110957884
1-butan-2-yl-3-(3-cyclopentyloxypropyl)-2-methylguanidine
CID 110944370
1-(3-cyclopentyloxypropyl)-2-methyl-3-(2-methylsulfanylethyl)guanidine
CID 111346015
1-(3-cyclopentyloxypropyl)-3-(4-ethoxybutyl)-2-methylguanidine
CID 111946277
1-(3-cyclohexyloxypropyl)-2-methyl-3-[3-(2,2,2-trifluoroethoxy)propyl]guanidine
CID 111398101
1-(3-cyclopentyloxypropyl)-3-(2-methoxy-2-methylpropyl)-2-methylguanidine
CID 111607727
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

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclohexyloxypropyl)-2-methyl-3-(2-methylpropyl)guanidine?
The IUPAC name of 1-(3-cyclohexyloxypropyl)-2-methyl-3-(2-methylpropyl)guanidine (CID 111178790) is 1-(3-cyclohexyloxypropyl)-2-methyl-3-(2-methylpropyl)guanidine.
What is the SMILES notation for 1-(3-cyclohexyloxypropyl)-2-methyl-3-(2-methylpropyl)guanidine?
The canonical SMILES for 1-(3-cyclohexyloxypropyl)-2-methyl-3-(2-methylpropyl)guanidine is C/N=C(/NCCCOC1CCCCC1)NCC(C)C.
What is the InChIKey of 1-(3-cyclohexyloxypropyl)-2-methyl-3-(2-methylpropyl)guanidine?
The InChIKey is KEGLXOIKHSZPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-13(2)12-18-15(16-3)17-10-7-11-19-14-8-5-4-6-9-14/h13-14H,4-12H2,1-3H3,(H2,16,17,18).
What are the key properties of 1-(3-cyclohexyloxypropyl)-2-methyl-3-(2-methylpropyl)guanidine?
1-(3-cyclohexyloxypropyl)-2-methyl-3-(2-methylpropyl)guanidine has a molecular weight of 269.43 g/mol, XLogP of 2.55, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclohexyloxypropyl)-2-methyl-3-(2-methylpropyl)guanidine is sourced from PubChem (CID 111178790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).