1-(3-ethylphenyl)-2-[(1-hydroxycyclopentyl)methyl]guanidine

C15H23N3O — CID 111088645

IUPAC1-(3-ethylphenyl)-2-[(1-hydroxycyclopentyl)methyl]guanidine
SMILESCCc1cccc(N/C(N)=N/CC2(O)CCCC2)c1
InChIInChI=1S/C15H23N3O/c1-2-12-6-5-7-13(10-12)18-14(16)17-11-15(19)8-3-4-9-15/h5-7,10,19H,2-4,8-9,11H2,1H3,(H3,16,17,18)
InChIKeyXMIXOQKQUINNPS-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.28
Rot. Bonds4

About 1-(3-ethylphenyl)-2-[(1-hydroxycyclopentyl)methyl]guanidine

1-(3-ethylphenyl)-2-[(1-hydroxycyclopentyl)methyl]guanidine (PubChem CID 111088645) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-(3-ethylphenyl)-2-[(1-hydroxycyclopentyl)methyl]guanidine.

Molecular Properties

Compound Name1-(3-ethylphenyl)-2-[(1-hydroxycyclopentyl)methyl]guanidine
PubChem CID111088645
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-(3-ethylphenyl)-2-[(1-hydroxycyclopentyl)methyl]guanidine
SMILESCCc1cccc(N/C(N)=N/CC2(O)CCCC2)c1
InChIInChI=1S/C15H23N3O/c1-2-12-6-5-7-13(10-12)18-14(16)17-11-15(19)8-3-4-9-15/h5-7,10,19H,2-4,8-9,11H2,1H3,(H3,16,17,18)
InChIKeyXMIXOQKQUINNPS-UHFFFAOYSA-N
XLogP2.28
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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-(3-ethylphenyl)-2-[(1-hydroxycyclobutyl)methyl]guanidine;hydroiodide
CID 111801667
2-[(1-hydroxycyclopentyl)methyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide
CID 111088658
2-[(1-hydroxycyclohexyl)methyl]-1-(3-methoxyphenyl)guanidine
CID 111078425
2-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-1-(3-ethylphenyl)guanidine;hydroiodide
CID 110033238
1-(3-ethylphenyl)-2-[(1-phenylcyclopropyl)methyl]guanidine;hydroiodide
CID 111038829
1-(3-ethylphenyl)-2-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]guanidine
CID 111911876
1-(3,4-dimethoxyphenyl)-2-[(1-hydroxycyclohexyl)methyl]guanidine
CID 111078463
2-[(1-hydroxycyclobutyl)methyl]-1-(3-phenoxyphenyl)guanidine;hydroiodide
CID 111801699
1-(2,3-dihydro-1H-inden-5-yl)-2-[(1-hydroxycyclohexyl)methyl]guanidine
CID 111078471
2-(2,3-dihydro-1H-inden-5-ylmethyl)-1-(3-ethylphenyl)guanidine
CID 111071234
1-(4-butan-2-ylphenyl)-2-[(1-hydroxycyclopentyl)methyl]guanidine;hydroiodide
CID 111088612
2-(2,3-dihydro-1H-inden-5-ylmethyl)-1-(3-ethylphenyl)guanidine;hydroiodide
CID 111071233

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylphenyl)-2-[(1-hydroxycyclopentyl)methyl]guanidine?
The IUPAC name of 1-(3-ethylphenyl)-2-[(1-hydroxycyclopentyl)methyl]guanidine (CID 111088645) is 1-(3-ethylphenyl)-2-[(1-hydroxycyclopentyl)methyl]guanidine.
What is the SMILES notation for 1-(3-ethylphenyl)-2-[(1-hydroxycyclopentyl)methyl]guanidine?
The canonical SMILES for 1-(3-ethylphenyl)-2-[(1-hydroxycyclopentyl)methyl]guanidine is CCc1cccc(N/C(N)=N/CC2(O)CCCC2)c1.
What is the InChIKey of 1-(3-ethylphenyl)-2-[(1-hydroxycyclopentyl)methyl]guanidine?
The InChIKey is XMIXOQKQUINNPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-2-12-6-5-7-13(10-12)18-14(16)17-11-15(19)8-3-4-9-15/h5-7,10,19H,2-4,8-9,11H2,1H3,(H3,16,17,18).
What are the key properties of 1-(3-ethylphenyl)-2-[(1-hydroxycyclopentyl)methyl]guanidine?
1-(3-ethylphenyl)-2-[(1-hydroxycyclopentyl)methyl]guanidine has a molecular weight of 261.37 g/mol, XLogP of 2.28, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylphenyl)-2-[(1-hydroxycyclopentyl)methyl]guanidine is sourced from PubChem (CID 111088645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).