1-(4-cycloheptyloxybutyl)-2-methyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine

C21H42N4O2 — CID 111765401

IUPAC1-(4-cycloheptyloxybutyl)-2-methyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine
SMILESC/N=C(/NCCCCOC1CCCCCC1)NCC(C)(C)N1CCOCC1
InChIInChI=1S/C21H42N4O2/c1-21(2,25-13-16-26-17-14-25)18-24-20(22-3)23-12-8-9-15-27-19-10-6-4-5-7-11-19/h19H,4-18H2,1-3H3,(H2,22,23,24)
InChIKeyFDMVESGDLXHHPV-UHFFFAOYSA-N
MW382.59 g/mol
LogP2.78
Rot. Bonds9

About 1-(4-cycloheptyloxybutyl)-2-methyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine

1-(4-cycloheptyloxybutyl)-2-methyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine (PubChem CID 111765401) has the molecular formula C21H42N4O2 and a molecular weight of 382.59 g/mol. Its IUPAC name is 1-(4-cycloheptyloxybutyl)-2-methyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine.

Molecular Properties

Compound Name1-(4-cycloheptyloxybutyl)-2-methyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine
PubChem CID111765401
Molecular FormulaC21H42N4O2
Molecular Weight382.59 g/mol
Exact Mass382.33
IUPAC Name1-(4-cycloheptyloxybutyl)-2-methyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine
SMILESC/N=C(/NCCCCOC1CCCCCC1)NCC(C)(C)N1CCOCC1
InChIInChI=1S/C21H42N4O2/c1-21(2,25-13-16-26-17-14-25)18-24-20(22-3)23-12-8-9-15-27-19-10-6-4-5-7-11-19/h19H,4-18H2,1-3H3,(H2,22,23,24)
InChIKeyFDMVESGDLXHHPV-UHFFFAOYSA-N
XLogP2.78
TPSA58.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.59
LogP ≤ 52.78
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-[3-[cyclohexyl(methyl)amino]propyl]-2-methyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine
CID 111315120
1-hexyl-2-methyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111161052
2-methyl-1-(5-methylhexyl)-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine
CID 111579591
1-(5,5-dimethylhexyl)-2-methyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine
CID 111315930
1-(3-cyclohexyloxypropyl)-3-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111315617
1-(3-cyclopentyloxypropyl)-3-(2-methoxy-2-methylpropyl)-2-methylguanidine
CID 111607727
2-methyl-1-(2-methyl-2-morpholin-4-ylpropyl)-3-(3-methylsulfanylpropyl)guanidine;hydroiodide
CID 111784225
2-methyl-1-[(4-methylcyclohexyl)methyl]-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine
CID 111313640
1-(3-cyclopentyloxypropyl)-3-(4-ethoxybutyl)-2-methylguanidine
CID 111946277
1-(3-cyclohexyloxypropyl)-2-methyl-3-(2-methylpropyl)guanidine
CID 111178790
1-[3-(ethylsulfonylamino)propyl]-2-methyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine
CID 111315226
1-[2-(1-ethylpiperidin-4-yl)ethyl]-2-methyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine
CID 111784276

Frequently Asked Questions

What is the IUPAC name of 1-(4-cycloheptyloxybutyl)-2-methyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine?
The IUPAC name of 1-(4-cycloheptyloxybutyl)-2-methyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine (CID 111765401) is 1-(4-cycloheptyloxybutyl)-2-methyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine.
What is the SMILES notation for 1-(4-cycloheptyloxybutyl)-2-methyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine?
The canonical SMILES for 1-(4-cycloheptyloxybutyl)-2-methyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine is C/N=C(/NCCCCOC1CCCCCC1)NCC(C)(C)N1CCOCC1.
What is the InChIKey of 1-(4-cycloheptyloxybutyl)-2-methyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine?
The InChIKey is FDMVESGDLXHHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42N4O2/c1-21(2,25-13-16-26-17-14-25)18-24-20(22-3)23-12-8-9-15-27-19-10-6-4-5-7-11-19/h19H,4-18H2,1-3H3,(H2,22,23,24).
What are the key properties of 1-(4-cycloheptyloxybutyl)-2-methyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine?
1-(4-cycloheptyloxybutyl)-2-methyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine has a molecular weight of 382.59 g/mol, XLogP of 2.78, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cycloheptyloxybutyl)-2-methyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine is sourced from PubChem (CID 111765401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).