1-(2,5-dimethoxyphenyl)-2-[(4-ethylcyclohexyl)methyl]guanidine

C18H29N3O2 — CID 111076580

IUPAC1-(2,5-dimethoxyphenyl)-2-[(4-ethylcyclohexyl)methyl]guanidine
SMILESCCC1CCC(C/N=C(\N)Nc2cc(OC)ccc2OC)CC1
InChIInChI=1S/C18H29N3O2/c1-4-13-5-7-14(8-6-13)12-20-18(19)21-16-11-15(22-2)9-10-17(16)23-3/h9-11,13-14H,4-8,12H2,1-3H3,(H3,19,20,21)
InChIKeyLKOGUSQANYTCKB-UHFFFAOYSA-N
MW319.45 g/mol
LogP3.65
Rot. Bonds6

About 1-(2,5-dimethoxyphenyl)-2-[(4-ethylcyclohexyl)methyl]guanidine

1-(2,5-dimethoxyphenyl)-2-[(4-ethylcyclohexyl)methyl]guanidine (PubChem CID 111076580) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-2-[(4-ethylcyclohexyl)methyl]guanidine.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-2-[(4-ethylcyclohexyl)methyl]guanidine
PubChem CID111076580
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name1-(2,5-dimethoxyphenyl)-2-[(4-ethylcyclohexyl)methyl]guanidine
SMILESCCC1CCC(C/N=C(\N)Nc2cc(OC)ccc2OC)CC1
InChIInChI=1S/C18H29N3O2/c1-4-13-5-7-14(8-6-13)12-20-18(19)21-16-11-15(22-2)9-10-17(16)23-3/h9-11,13-14H,4-8,12H2,1-3H3,(H3,19,20,21)
InChIKeyLKOGUSQANYTCKB-UHFFFAOYSA-N
XLogP3.65
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 53.65
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'}

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Related Compounds

1-(2,5-dimethoxyphenyl)-2-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]guanidine;hydroiodide
CID 111084546
2-(cyclopropylmethyl)-1-(2,5-diethoxyphenyl)guanidine;hydroiodide
CID 111040816
1-(2,5-dimethoxyphenyl)-2-[[(2R)-oxolan-2-yl]methyl]guanidine
CID 122097343
1-(2,5-dimethoxyphenyl)-2-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111022958
1-(2,5-dimethoxyphenyl)-2-[(1-phenylpyrrolidin-3-yl)methyl]guanidine;hydroiodide
CID 111065745
1-(2,5-dimethoxyphenyl)-2-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]guanidine
CID 111084457
2-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-1-(2,5-dimethoxyphenyl)guanidine
CID 111805788
2-[[2-(cyclopropylmethoxy)phenyl]methyl]-1-(2,5-dimethoxyphenyl)guanidine;hydroiodide
CID 111812929
1-(2,5-dimethoxyphenyl)-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine
CID 111064688
1-(2,5-dimethoxyphenyl)-2-prop-2-enylguanidine
CID 111023982
2-[2-(diethylamino)ethyl]-1-(2,5-dimethoxyphenyl)guanidine
CID 111022703
2-[[amino-(2,5-dimethoxyanilino)methylidene]amino]-N-ethylacetamide
CID 111032082

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-2-[(4-ethylcyclohexyl)methyl]guanidine?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-2-[(4-ethylcyclohexyl)methyl]guanidine (CID 111076580) is 1-(2,5-dimethoxyphenyl)-2-[(4-ethylcyclohexyl)methyl]guanidine.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-2-[(4-ethylcyclohexyl)methyl]guanidine?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-2-[(4-ethylcyclohexyl)methyl]guanidine is CCC1CCC(C/N=C(\N)Nc2cc(OC)ccc2OC)CC1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-2-[(4-ethylcyclohexyl)methyl]guanidine?
The InChIKey is LKOGUSQANYTCKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-4-13-5-7-14(8-6-13)12-20-18(19)21-16-11-15(22-2)9-10-17(16)23-3/h9-11,13-14H,4-8,12H2,1-3H3,(H3,19,20,21).
What are the key properties of 1-(2,5-dimethoxyphenyl)-2-[(4-ethylcyclohexyl)methyl]guanidine?
1-(2,5-dimethoxyphenyl)-2-[(4-ethylcyclohexyl)methyl]guanidine has a molecular weight of 319.45 g/mol, XLogP of 3.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-2-[(4-ethylcyclohexyl)methyl]guanidine is sourced from PubChem (CID 111076580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).