1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[(3-methyloxetan-3-yl)methyl]guanidine

C14H27N3O — CID 109470732

IUPAC1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[(3-methyloxetan-3-yl)methyl]guanidine
SMILESCCC1(CN/C(=N/C)NCC2(C)COC2)CCC1
InChIInChI=1S/C14H27N3O/c1-4-14(6-5-7-14)9-17-12(15-3)16-8-13(2)10-18-11-13/h4-11H2,1-3H3,(H2,15,16,17)
InChIKeyCZSSNZLLYYUNRY-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.77
Rot. Bonds5

About 1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[(3-methyloxetan-3-yl)methyl]guanidine

1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[(3-methyloxetan-3-yl)methyl]guanidine (PubChem CID 109470732) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[(3-methyloxetan-3-yl)methyl]guanidine.

Molecular Properties

Compound Name1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[(3-methyloxetan-3-yl)methyl]guanidine
PubChem CID109470732
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[(3-methyloxetan-3-yl)methyl]guanidine
SMILESCCC1(CN/C(=N/C)NCC2(C)COC2)CCC1
InChIInChI=1S/C14H27N3O/c1-4-14(6-5-7-14)9-17-12(15-3)16-8-13(2)10-18-11-13/h4-11H2,1-3H3,(H2,15,16,17)
InChIKeyCZSSNZLLYYUNRY-UHFFFAOYSA-N
XLogP1.77
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-(2-methylpropyl)guanidine
CID 109468657
1-butyl-3-[(1-ethylcyclobutyl)methyl]-2-methylguanidine
CID 109470050
2-methyl-1-[(3-methyloxetan-3-yl)methyl]-3-(2-methylpropyl)guanidine
CID 111828269
1-[(1-ethylcyclobutyl)methyl]-3-[(4-methoxyoxan-4-yl)methyl]-2-methylguanidine
CID 109470788
1-[(1-ethylcyclobutyl)methyl]-3-[[1-(2-methoxyethyl)cyclopropyl]methyl]-2-methylguanidine
CID 109470520
1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-(3-methylbutyl)guanidine;hydroiodide
CID 109469009
methyl 3-[[N-[(1-ethylcyclobutyl)methyl]-N'-methylcarbamimidoyl]amino]propanoate
CID 109468990
2-methyl-1-[(3-methyloxetan-3-yl)methyl]-3-(2-methylsulfanylethyl)guanidine;hydroiodide
CID 111830858
1-cyclopentyl-2-methyl-3-[(3-methyloxetan-3-yl)methyl]guanidine;hydroiodide
CID 111826643
2-[[N-[(1-ethylcyclobutyl)methyl]-N'-methylcarbamimidoyl]amino]-N-propylacetamide
CID 109469065
1-[3-(diethylamino)propyl]-3-[(1-ethylcyclobutyl)methyl]-2-methylguanidine
CID 109468661
1-(3-ethoxypropyl)-3-[(1-ethylcyclobutyl)methyl]-2-methylguanidine;hydroiodide
CID 109469390

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[(3-methyloxetan-3-yl)methyl]guanidine?
The IUPAC name of 1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[(3-methyloxetan-3-yl)methyl]guanidine (CID 109470732) is 1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[(3-methyloxetan-3-yl)methyl]guanidine.
What is the SMILES notation for 1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[(3-methyloxetan-3-yl)methyl]guanidine?
The canonical SMILES for 1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[(3-methyloxetan-3-yl)methyl]guanidine is CCC1(CN/C(=N/C)NCC2(C)COC2)CCC1.
What is the InChIKey of 1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[(3-methyloxetan-3-yl)methyl]guanidine?
The InChIKey is CZSSNZLLYYUNRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-4-14(6-5-7-14)9-17-12(15-3)16-8-13(2)10-18-11-13/h4-11H2,1-3H3,(H2,15,16,17).
What are the key properties of 1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[(3-methyloxetan-3-yl)methyl]guanidine?
1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[(3-methyloxetan-3-yl)methyl]guanidine has a molecular weight of 253.39 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[(3-methyloxetan-3-yl)methyl]guanidine is sourced from PubChem (CID 109470732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).