1-(2-methoxyethyl)-2-methyl-3-[(2-methylcyclohexyl)methyl]guanidine

C13H27N3O — CID 110939534

IUPAC1-(2-methoxyethyl)-2-methyl-3-[(2-methylcyclohexyl)methyl]guanidine
SMILESC/N=C(\NCCOC)NCC1CCCCC1C
InChIInChI=1S/C13H27N3O/c1-11-6-4-5-7-12(11)10-16-13(14-2)15-8-9-17-3/h11-12H,4-10H2,1-3H3,(H2,14,15,16)
InChIKeyPJRGYOFFZJXIRW-UHFFFAOYSA-N
MW241.38 g/mol
LogP1.62
Rot. Bonds5

About 1-(2-methoxyethyl)-2-methyl-3-[(2-methylcyclohexyl)methyl]guanidine

1-(2-methoxyethyl)-2-methyl-3-[(2-methylcyclohexyl)methyl]guanidine (PubChem CID 110939534) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-2-methyl-3-[(2-methylcyclohexyl)methyl]guanidine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-2-methyl-3-[(2-methylcyclohexyl)methyl]guanidine
PubChem CID110939534
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name1-(2-methoxyethyl)-2-methyl-3-[(2-methylcyclohexyl)methyl]guanidine
SMILESC/N=C(\NCCOC)NCC1CCCCC1C
InChIInChI=1S/C13H27N3O/c1-11-6-4-5-7-12(11)10-16-13(14-2)15-8-9-17-3/h11-12H,4-10H2,1-3H3,(H2,14,15,16)
InChIKeyPJRGYOFFZJXIRW-UHFFFAOYSA-N
XLogP1.62
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 51.62
H-Bond Donors ≤ 52
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-(cyclopropylmethyl)-2-methyl-3-[(2-methylcyclohexyl)methyl]guanidine;hydroiodide
CID 111867847
2-methyl-1-[(2-methylcyclohexyl)methyl]-3-(2-methylsulfanylethyl)guanidine;hydroiodide
CID 111344192
2-methyl-1-[(2-methylcyclohexyl)methyl]-3-prop-2-enylguanidine
CID 110980059
1-ethyl-3-(2-methoxyethyl)-2-[(2-methylcyclohexyl)methyl]guanidine;hydroiodide
CID 110939535
1-(cyclooctylmethyl)-3-(3-methoxypropyl)-2-methylguanidine;hydroiodide
CID 110973864
1-(2-methoxyethyl)-2-methyl-3-[(1-methylpiperidin-3-yl)methyl]guanidine
CID 111758540
N-tert-butyl-2-[[N'-methyl-N-[(2-methylcyclohexyl)methyl]carbamimidoyl]amino]acetamide
CID 111383343
2-methyl-1-[(2-methylcyclohexyl)methyl]-3-(3-pyrazol-1-ylpropyl)guanidine
CID 111904237
2-methyl-1-[(2-methylcyclohexyl)methyl]-3-[2-(4-methylsulfonylphenyl)ethyl]guanidine
CID 111613481
2-methyl-1-[(2-methylcyclohexyl)methyl]-3-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111904236
2-methyl-1-[(2-methylcyclohexyl)methyl]-3-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]guanidine
CID 111559390
1-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-2-methyl-3-[(2-methylcyclohexyl)methyl]guanidine
CID 111698727

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-2-methyl-3-[(2-methylcyclohexyl)methyl]guanidine?
The IUPAC name of 1-(2-methoxyethyl)-2-methyl-3-[(2-methylcyclohexyl)methyl]guanidine (CID 110939534) is 1-(2-methoxyethyl)-2-methyl-3-[(2-methylcyclohexyl)methyl]guanidine.
What is the SMILES notation for 1-(2-methoxyethyl)-2-methyl-3-[(2-methylcyclohexyl)methyl]guanidine?
The canonical SMILES for 1-(2-methoxyethyl)-2-methyl-3-[(2-methylcyclohexyl)methyl]guanidine is C/N=C(\NCCOC)NCC1CCCCC1C.
What is the InChIKey of 1-(2-methoxyethyl)-2-methyl-3-[(2-methylcyclohexyl)methyl]guanidine?
The InChIKey is PJRGYOFFZJXIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-11-6-4-5-7-12(11)10-16-13(14-2)15-8-9-17-3/h11-12H,4-10H2,1-3H3,(H2,14,15,16).
What are the key properties of 1-(2-methoxyethyl)-2-methyl-3-[(2-methylcyclohexyl)methyl]guanidine?
1-(2-methoxyethyl)-2-methyl-3-[(2-methylcyclohexyl)methyl]guanidine has a molecular weight of 241.38 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-2-methyl-3-[(2-methylcyclohexyl)methyl]guanidine is sourced from PubChem (CID 110939534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).