1-(3-ethylphenyl)-2-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]guanidine

C21H34N4O — CID 111911876

IUPAC1-(3-ethylphenyl)-2-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]guanidine
SMILESCCc1cccc(N/C(N)=N/CC2(CN3CCOCC3)CCCCC2)c1
InChIInChI=1S/C21H34N4O/c1-2-18-7-6-8-19(15-18)24-20(22)23-16-21(9-4-3-5-10-21)17-25-11-13-26-14-12-25/h6-8,15H,2-5,9-14,16-17H2,1H3,(H3,22,23,24)
InChIKeySANQGVJEUZNVAT-UHFFFAOYSA-N
MW358.53 g/mol
LogP3.26
Rot. Bonds6

About 1-(3-ethylphenyl)-2-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]guanidine

1-(3-ethylphenyl)-2-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]guanidine (PubChem CID 111911876) has the molecular formula C21H34N4O and a molecular weight of 358.53 g/mol. Its IUPAC name is 1-(3-ethylphenyl)-2-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]guanidine.

Molecular Properties

Compound Name1-(3-ethylphenyl)-2-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]guanidine
PubChem CID111911876
Molecular FormulaC21H34N4O
Molecular Weight358.53 g/mol
Exact Mass358.27
IUPAC Name1-(3-ethylphenyl)-2-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]guanidine
SMILESCCc1cccc(N/C(N)=N/CC2(CN3CCOCC3)CCCCC2)c1
InChIInChI=1S/C21H34N4O/c1-2-18-7-6-8-19(15-18)24-20(22)23-16-21(9-4-3-5-10-21)17-25-11-13-26-14-12-25/h6-8,15H,2-5,9-14,16-17H2,1H3,(H3,22,23,24)
InChIKeySANQGVJEUZNVAT-UHFFFAOYSA-N
XLogP3.26
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 53.26
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

2-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-1-(3-ethylphenyl)guanidine;hydroiodide
CID 110033238
1-(3-ethylphenyl)-2-[(1-hydroxycyclopentyl)methyl]guanidine
CID 111088645
1-(3-ethylphenyl)-2-[(1-hydroxycyclobutyl)methyl]guanidine;hydroiodide
CID 111801667
1-(3-ethylphenyl)-2-[(4-morpholin-4-ylphenyl)methyl]guanidine
CID 111063114
1-(2,5-diethoxyphenyl)-2-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]guanidine;hydroiodide
CID 111911833
1-(3-ethylphenyl)-2-[(1-phenylcyclopropyl)methyl]guanidine;hydroiodide
CID 111038829
2-[[amino(morpholin-4-yl)methylidene]amino]-N-(3-ethylphenyl)acetamide
CID 111093861
1-(3-ethylphenyl)-2-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]guanidine
CID 111035328
2-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-1-prop-2-enylguanidine
CID 111911840
1-(3-ethylphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111058321
2-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-(3-ethylphenyl)guanidine
CID 111054747
1-(3-ethylphenyl)-2-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]guanidine
CID 111053403

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylphenyl)-2-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]guanidine?
The IUPAC name of 1-(3-ethylphenyl)-2-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]guanidine (CID 111911876) is 1-(3-ethylphenyl)-2-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]guanidine.
What is the SMILES notation for 1-(3-ethylphenyl)-2-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]guanidine?
The canonical SMILES for 1-(3-ethylphenyl)-2-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]guanidine is CCc1cccc(N/C(N)=N/CC2(CN3CCOCC3)CCCCC2)c1.
What is the InChIKey of 1-(3-ethylphenyl)-2-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]guanidine?
The InChIKey is SANQGVJEUZNVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O/c1-2-18-7-6-8-19(15-18)24-20(22)23-16-21(9-4-3-5-10-21)17-25-11-13-26-14-12-25/h6-8,15H,2-5,9-14,16-17H2,1H3,(H3,22,23,24).
What are the key properties of 1-(3-ethylphenyl)-2-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]guanidine?
1-(3-ethylphenyl)-2-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]guanidine has a molecular weight of 358.53 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylphenyl)-2-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]guanidine is sourced from PubChem (CID 111911876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).