1-cyclopropyl-2-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-1-methylguanidine

C14H27N3O — CID 110031667

IUPAC1-cyclopropyl-2-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-1-methylguanidine
SMILESCCOCCC1(C/N=C(\N)N(C)C2CC2)CCC1
InChIInChI=1S/C14H27N3O/c1-3-18-10-9-14(7-4-8-14)11-16-13(15)17(2)12-5-6-12/h12H,3-11H2,1-2H3,(H2,15,16)
InChIKeyUJFXQJJISCQNMM-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.99
Rot. Bonds7

About 1-cyclopropyl-2-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-1-methylguanidine

1-cyclopropyl-2-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-1-methylguanidine (PubChem CID 110031667) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-cyclopropyl-2-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-1-methylguanidine.

Molecular Properties

Compound Name1-cyclopropyl-2-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-1-methylguanidine
PubChem CID110031667
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name1-cyclopropyl-2-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-1-methylguanidine
SMILESCCOCCC1(C/N=C(\N)N(C)C2CC2)CCC1
InChIInChI=1S/C14H27N3O/c1-3-18-10-9-14(7-4-8-14)11-16-13(15)17(2)12-5-6-12/h12H,3-11H2,1-2H3,(H2,15,16)
InChIKeyUJFXQJJISCQNMM-UHFFFAOYSA-N
XLogP1.99
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.99
H-Bond Donors ≤ 51
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-cyclopropyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]-1-methylguanidine
CID 110031531
1-cyclopropyl-2-[(1-methoxycyclobutyl)methyl]-1-methylguanidine;hydroiodide
CID 110031921
1-cyclopropyl-1-methyl-2-[(1-methylcyclopentyl)methyl]guanidine
CID 110031175
1-cyclopropyl-2-[(1-hydroxycyclohexyl)methyl]-1-methylguanidine;hydroiodide
CID 110030510
1-cyclopropyl-1-methyl-2-[(1-methylsulfinylcyclobutyl)methyl]guanidine
CID 120672031
N'-[[1-(2-ethoxyethyl)cyclopentyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 75512975
1-cyclopropyl-2-[(4-methoxyoxan-4-yl)methyl]-1-methylguanidine;hydroiodide
CID 110031738
2-[[1-(2-ethoxyethyl)cyclopropyl]methyl]-1-ethyl-3-[(1-ethylcyclobutyl)methyl]guanidine;hydroiodide
CID 109471021
1-cyclopropyl-2-[3-(2-hydroxyethoxy)propyl]-1-methylguanidine
CID 110031930
[1-(2-ethoxyethyl)cyclopentyl]methanamine
CID 62724287
[1-(2-ethoxyethyl)cyclopentyl]methanol
CID 66023683
2-[[1-(5-bromothiophen-2-yl)cyclobutyl]methyl]-1-cyclopropyl-1-methylguanidine
CID 120973045

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-1-methylguanidine?
The IUPAC name of 1-cyclopropyl-2-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-1-methylguanidine (CID 110031667) is 1-cyclopropyl-2-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-1-methylguanidine.
What is the SMILES notation for 1-cyclopropyl-2-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-1-methylguanidine?
The canonical SMILES for 1-cyclopropyl-2-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-1-methylguanidine is CCOCCC1(C/N=C(\N)N(C)C2CC2)CCC1.
What is the InChIKey of 1-cyclopropyl-2-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-1-methylguanidine?
The InChIKey is UJFXQJJISCQNMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-3-18-10-9-14(7-4-8-14)11-16-13(15)17(2)12-5-6-12/h12H,3-11H2,1-2H3,(H2,15,16).
What are the key properties of 1-cyclopropyl-2-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-1-methylguanidine?
1-cyclopropyl-2-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-1-methylguanidine has a molecular weight of 253.39 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-1-methylguanidine is sourced from PubChem (CID 110031667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).