1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-(2-methylpropyl)guanidine

C13H27N3 — CID 109468657

IUPAC1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-(2-methylpropyl)guanidine
SMILESCCC1(CN/C(=N/C)NCC(C)C)CCC1
InChIInChI=1S/C13H27N3/c1-5-13(7-6-8-13)10-16-12(14-4)15-9-11(2)3/h11H,5-10H2,1-4H3,(H2,14,15,16)
InChIKeyIOPVCYDYMGVMRO-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.39
Rot. Bonds5

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

1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-(2-methylpropyl)guanidine (PubChem CID 109468657) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-(2-methylpropyl)guanidine.

Molecular Properties

Compound Name1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-(2-methylpropyl)guanidine
PubChem CID109468657
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-(2-methylpropyl)guanidine
SMILESCCC1(CN/C(=N/C)NCC(C)C)CCC1
InChIInChI=1S/C13H27N3/c1-5-13(7-6-8-13)10-16-12(14-4)15-9-11(2)3/h11H,5-10H2,1-4H3,(H2,14,15,16)
InChIKeyIOPVCYDYMGVMRO-UHFFFAOYSA-N
XLogP2.39
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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-(3-methylbutyl)guanidine;hydroiodide
CID 109469009
1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[2-(4-methylpiperazin-1-yl)propyl]guanidine;hydroiodide
CID 109470295
1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[(3-methyloxetan-3-yl)methyl]guanidine
CID 109470732
1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]guanidine
CID 109469492
1-butyl-3-[(1-ethylcyclobutyl)methyl]-2-methylguanidine
CID 109470050
1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[2-(3-methylmorpholin-4-yl)propyl]guanidine
CID 109470506
1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[2-[methyl(propan-2-yl)amino]ethyl]guanidine;hydroiodide
CID 109470912
1-[(1-ethylcyclobutyl)methyl]-3-[[1-(2-methoxyethyl)cyclopropyl]methyl]-2-methylguanidine
CID 109470520
1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[2-(3-methylmorpholin-4-yl)propyl]guanidine;hydroiodide
CID 109470505
1-[(1-ethylcyclobutyl)methyl]-3-[(4-methoxyoxan-4-yl)methyl]-2-methylguanidine
CID 109470788
1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-(3-methyl-2-pyridin-3-ylbutyl)guanidine
CID 109470776
methyl 3-[[N-[(1-ethylcyclobutyl)methyl]-N'-methylcarbamimidoyl]amino]propanoate
CID 109468990

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-(2-methylpropyl)guanidine?
The IUPAC name of 1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-(2-methylpropyl)guanidine (CID 109468657) is 1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-(2-methylpropyl)guanidine.
What is the SMILES notation for 1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-(2-methylpropyl)guanidine?
The canonical SMILES for 1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-(2-methylpropyl)guanidine is CCC1(CN/C(=N/C)NCC(C)C)CCC1.
What is the InChIKey of 1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-(2-methylpropyl)guanidine?
The InChIKey is IOPVCYDYMGVMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-5-13(7-6-8-13)10-16-12(14-4)15-9-11(2)3/h11H,5-10H2,1-4H3,(H2,14,15,16).
What are the key properties of 1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-(2-methylpropyl)guanidine?
1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-(2-methylpropyl)guanidine has a molecular weight of 225.38 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-(2-methylpropyl)guanidine is sourced from PubChem (CID 109468657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).