1-[(1-ethylcyclobutyl)methyl]-3-[(4-methoxyoxan-4-yl)methyl]-2-methylguanidine

C16H31N3O2 — CID 109470788

IUPAC1-[(1-ethylcyclobutyl)methyl]-3-[(4-methoxyoxan-4-yl)methyl]-2-methylguanidine
SMILESCCC1(CN/C(=N\C)NCC2(OC)CCOCC2)CCC1
InChIInChI=1S/C16H31N3O2/c1-4-15(6-5-7-15)12-18-14(17-2)19-13-16(20-3)8-10-21-11-9-16/h4-13H2,1-3H3,(H2,17,18,19)
InChIKeyRRWZFCNBELPYAU-UHFFFAOYSA-N
MW297.44 g/mol
LogP1.93
Rot. Bonds6

About 1-[(1-ethylcyclobutyl)methyl]-3-[(4-methoxyoxan-4-yl)methyl]-2-methylguanidine

1-[(1-ethylcyclobutyl)methyl]-3-[(4-methoxyoxan-4-yl)methyl]-2-methylguanidine (PubChem CID 109470788) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is 1-[(1-ethylcyclobutyl)methyl]-3-[(4-methoxyoxan-4-yl)methyl]-2-methylguanidine.

Molecular Properties

Compound Name1-[(1-ethylcyclobutyl)methyl]-3-[(4-methoxyoxan-4-yl)methyl]-2-methylguanidine
PubChem CID109470788
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Name1-[(1-ethylcyclobutyl)methyl]-3-[(4-methoxyoxan-4-yl)methyl]-2-methylguanidine
SMILESCCC1(CN/C(=N\C)NCC2(OC)CCOCC2)CCC1
InChIInChI=1S/C16H31N3O2/c1-4-15(6-5-7-15)12-18-14(17-2)19-13-16(20-3)8-10-21-11-9-16/h4-13H2,1-3H3,(H2,17,18,19)
InChIKeyRRWZFCNBELPYAU-UHFFFAOYSA-N
XLogP1.93
TPSA54.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[(1-ethylcyclobutyl)methyl]-3-[(4-methoxyoxan-4-yl)methyl]-2-methylguanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(1-ethylcyclobutyl)methyl]-3-[[1-(2-methoxyethyl)cyclopropyl]methyl]-2-methylguanidine
CID 109470520
1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[(3-methyloxetan-3-yl)methyl]guanidine
CID 109470732
1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-(2-methylpropyl)guanidine
CID 109468657
methyl 3-[[N-[(1-ethylcyclobutyl)methyl]-N'-methylcarbamimidoyl]amino]propanoate
CID 109468990
1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[3-(oxan-4-yloxy)propyl]guanidine;hydroiodide
CID 109470983
1-butyl-3-[(1-ethylcyclobutyl)methyl]-2-methylguanidine
CID 109470050
methyl 5-[[N-[(1-ethylcyclobutyl)methyl]-N'-methylcarbamimidoyl]amino]pentanoate
CID 109470016
1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[(1-methylpiperidin-4-yl)methyl]guanidine;hydroiodide
CID 109469675
1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-(3-methylbutyl)guanidine;hydroiodide
CID 109469009
1-(3-ethoxypropyl)-3-[(1-ethylcyclobutyl)methyl]-2-methylguanidine;hydroiodide
CID 109469390
1-(3-ethylsulfinylcyclohexyl)-3-[(4-methoxyoxan-4-yl)methyl]-2-methylguanidine
CID 109436729
1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[(2,4,5-trimethoxyphenyl)methyl]guanidine
CID 109469059

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylcyclobutyl)methyl]-3-[(4-methoxyoxan-4-yl)methyl]-2-methylguanidine?
The IUPAC name of 1-[(1-ethylcyclobutyl)methyl]-3-[(4-methoxyoxan-4-yl)methyl]-2-methylguanidine (CID 109470788) is 1-[(1-ethylcyclobutyl)methyl]-3-[(4-methoxyoxan-4-yl)methyl]-2-methylguanidine.
What is the SMILES notation for 1-[(1-ethylcyclobutyl)methyl]-3-[(4-methoxyoxan-4-yl)methyl]-2-methylguanidine?
The canonical SMILES for 1-[(1-ethylcyclobutyl)methyl]-3-[(4-methoxyoxan-4-yl)methyl]-2-methylguanidine is CCC1(CN/C(=N\C)NCC2(OC)CCOCC2)CCC1.
What is the InChIKey of 1-[(1-ethylcyclobutyl)methyl]-3-[(4-methoxyoxan-4-yl)methyl]-2-methylguanidine?
The InChIKey is RRWZFCNBELPYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-4-15(6-5-7-15)12-18-14(17-2)19-13-16(20-3)8-10-21-11-9-16/h4-13H2,1-3H3,(H2,17,18,19).
What are the key properties of 1-[(1-ethylcyclobutyl)methyl]-3-[(4-methoxyoxan-4-yl)methyl]-2-methylguanidine?
1-[(1-ethylcyclobutyl)methyl]-3-[(4-methoxyoxan-4-yl)methyl]-2-methylguanidine has a molecular weight of 297.44 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylcyclobutyl)methyl]-3-[(4-methoxyoxan-4-yl)methyl]-2-methylguanidine is sourced from PubChem (CID 109470788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).