2-(cyclooctylmethyl)-1-ethyl-3-(2-methoxyethyl)guanidine

C15H31N3O — CID 110939822

IUPAC2-(cyclooctylmethyl)-1-ethyl-3-(2-methoxyethyl)guanidine
SMILESCCN/C(=N\CC1CCCCCCC1)NCCOC
InChIInChI=1S/C15H31N3O/c1-3-16-15(17-11-12-19-2)18-13-14-9-7-5-4-6-8-10-14/h14H,3-13H2,1-2H3,(H2,16,17,18)
InChIKeyMZOGDQNFRRDCPR-UHFFFAOYSA-N
MW269.43 g/mol
LogP2.55
Rot. Bonds6

About 2-(cyclooctylmethyl)-1-ethyl-3-(2-methoxyethyl)guanidine

2-(cyclooctylmethyl)-1-ethyl-3-(2-methoxyethyl)guanidine (PubChem CID 110939822) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-(cyclooctylmethyl)-1-ethyl-3-(2-methoxyethyl)guanidine.

Molecular Properties

Compound Name2-(cyclooctylmethyl)-1-ethyl-3-(2-methoxyethyl)guanidine
PubChem CID110939822
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name2-(cyclooctylmethyl)-1-ethyl-3-(2-methoxyethyl)guanidine
SMILESCCN/C(=N\CC1CCCCCCC1)NCCOC
InChIInChI=1S/C15H31N3O/c1-3-16-15(17-11-12-19-2)18-13-14-9-7-5-4-6-8-10-14/h14H,3-13H2,1-2H3,(H2,16,17,18)
InChIKeyMZOGDQNFRRDCPR-UHFFFAOYSA-N
XLogP2.55
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 52.55
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-(2-cycloheptyloxyethyl)-2-(cyclopropylmethyl)-3-ethylguanidine
CID 111575241
1-ethyl-3-(2-methoxyethyl)-2-[(2-methylcyclohexyl)methyl]guanidine;hydroiodide
CID 110939535
2-(cyclopropylmethyl)-1-ethyl-3-[3-(2-methoxyethoxy)propyl]guanidine
CID 111405529
1-ethyl-3-(2-methoxyethyl)-2-(oxolan-2-ylmethyl)guanidine
CID 110940944
1-ethyl-2,3-bis(2-methoxyethyl)guanidine
CID 110940924
tert-butyl 3-[[[ethylamino-(2-methoxyethylamino)methylidene]amino]methyl]piperidine-1-carboxylate
CID 110939622
1-ethyl-3-(2-methoxyethyl)-2-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]guanidine
CID 110941788
1-ethyl-3-[3-(2-methoxyethoxy)propyl]-2-[(4-methylcyclohexyl)methyl]guanidine;hydroiodide
CID 111405548
N-cyclohexyl-2-[[ethylamino-(2-methoxyethylamino)methylidene]amino]acetamide;hydroiodide
CID 110940777
2-(cyclopropylmethyl)-1-(3-ethoxypropyl)-3-ethylguanidine
CID 111222685
2-(2,2-dicyclopropylethyl)-1-ethyl-3-(2-methoxyethyl)guanidine
CID 111491600
1-(2-cycloheptyloxyethyl)-3-ethyl-2-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]guanidine
CID 111575823

Frequently Asked Questions

What is the IUPAC name of 2-(cyclooctylmethyl)-1-ethyl-3-(2-methoxyethyl)guanidine?
The IUPAC name of 2-(cyclooctylmethyl)-1-ethyl-3-(2-methoxyethyl)guanidine (CID 110939822) is 2-(cyclooctylmethyl)-1-ethyl-3-(2-methoxyethyl)guanidine.
What is the SMILES notation for 2-(cyclooctylmethyl)-1-ethyl-3-(2-methoxyethyl)guanidine?
The canonical SMILES for 2-(cyclooctylmethyl)-1-ethyl-3-(2-methoxyethyl)guanidine is CCN/C(=N\CC1CCCCCCC1)NCCOC.
What is the InChIKey of 2-(cyclooctylmethyl)-1-ethyl-3-(2-methoxyethyl)guanidine?
The InChIKey is MZOGDQNFRRDCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-3-16-15(17-11-12-19-2)18-13-14-9-7-5-4-6-8-10-14/h14H,3-13H2,1-2H3,(H2,16,17,18).
What are the key properties of 2-(cyclooctylmethyl)-1-ethyl-3-(2-methoxyethyl)guanidine?
2-(cyclooctylmethyl)-1-ethyl-3-(2-methoxyethyl)guanidine has a molecular weight of 269.43 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclooctylmethyl)-1-ethyl-3-(2-methoxyethyl)guanidine is sourced from PubChem (CID 110939822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).