1-(4-cycloheptyloxybutyl)-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine

C19H39N3O3 — CID 111768729

IUPAC1-(4-cycloheptyloxybutyl)-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine
SMILESC/N=C(/NCCCCOC1CCCCCC1)NCCCOCCOC
InChIInChI=1S/C19H39N3O3/c1-20-19(22-13-9-14-24-17-16-23-2)21-12-7-8-15-25-18-10-5-3-4-6-11-18/h18H,3-17H2,1-2H3,(H2,20,21,22)
InChIKeyVMWDNWMETUOBMQ-UHFFFAOYSA-N
MW357.54 g/mol
LogP2.72
Rot. Bonds13

About 1-(4-cycloheptyloxybutyl)-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine

1-(4-cycloheptyloxybutyl)-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine (PubChem CID 111768729) has the molecular formula C19H39N3O3 and a molecular weight of 357.54 g/mol. Its IUPAC name is 1-(4-cycloheptyloxybutyl)-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine.

Molecular Properties

Compound Name1-(4-cycloheptyloxybutyl)-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine
PubChem CID111768729
Molecular FormulaC19H39N3O3
Molecular Weight357.54 g/mol
Exact Mass357.30
IUPAC Name1-(4-cycloheptyloxybutyl)-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine
SMILESC/N=C(/NCCCCOC1CCCCCC1)NCCCOCCOC
InChIInChI=1S/C19H39N3O3/c1-20-19(22-13-9-14-24-17-16-23-2)21-12-7-8-15-25-18-10-5-3-4-6-11-18/h18H,3-17H2,1-2H3,(H2,20,21,22)
InChIKeyVMWDNWMETUOBMQ-UHFFFAOYSA-N
XLogP2.72
TPSA64.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.54
LogP ≤ 52.72
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-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-cyclohexyloxypropyl)-2-methyl-3-[3-(2-methylpropoxy)propyl]guanidine
CID 111398059
1-cyclohexyl-3-[4-(2-methoxyethoxy)butyl]-2-methylguanidine
CID 110958357
1-(3-cyclohexyloxypropyl)-3-[3-[2-methoxyethyl(methyl)amino]propyl]-2-methylguanidine
CID 111396927
1-(3-cyclopentylpropyl)-3-[4-(2-methoxyethoxy)butyl]-2-methylguanidine;hydroiodide
CID 111947232
1-(3-cyclopentylpropyl)-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine
CID 111404127
1-(3-cyclohexyloxypropyl)-2-methyl-3-(2-methylpropyl)guanidine
CID 111178790
1-(3-cyclopentyloxypropyl)-3-(2-methoxy-2-methylpropyl)-2-methylguanidine
CID 111607727
1-[3-(2-methoxyethoxy)propyl]-3-(2-methoxyethyl)-2-methylguanidine
CID 110942314
1-[2-(2-methoxyethoxy)ethyl]-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine
CID 111405155
1-cyclohexyl-3-(3-cyclopentyloxypropyl)-2-methylguanidine
CID 110957884

Frequently Asked Questions

What is the IUPAC name of 1-(4-cycloheptyloxybutyl)-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine?
The IUPAC name of 1-(4-cycloheptyloxybutyl)-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine (CID 111768729) is 1-(4-cycloheptyloxybutyl)-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine.
What is the SMILES notation for 1-(4-cycloheptyloxybutyl)-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine?
The canonical SMILES for 1-(4-cycloheptyloxybutyl)-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine is C/N=C(/NCCCCOC1CCCCCC1)NCCCOCCOC.
What is the InChIKey of 1-(4-cycloheptyloxybutyl)-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine?
The InChIKey is VMWDNWMETUOBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39N3O3/c1-20-19(22-13-9-14-24-17-16-23-2)21-12-7-8-15-25-18-10-5-3-4-6-11-18/h18H,3-17H2,1-2H3,(H2,20,21,22).
What are the key properties of 1-(4-cycloheptyloxybutyl)-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine?
1-(4-cycloheptyloxybutyl)-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine has a molecular weight of 357.54 g/mol, XLogP of 2.72, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cycloheptyloxybutyl)-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine is sourced from PubChem (CID 111768729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).