1-ethyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]-3-(2-methyl-3-morpholin-4-ylpropyl)guanidine

C20H40N4O2 — CID 109478079

IUPAC1-ethyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]-3-(2-methyl-3-morpholin-4-ylpropyl)guanidine
SMILESCCN/C(=N\CC1(CCO)CCCCC1)NCC(C)CN1CCOCC1
InChIInChI=1S/C20H40N4O2/c1-3-21-19(22-15-18(2)16-24-10-13-26-14-11-24)23-17-20(9-12-25)7-5-4-6-8-20/h18,25H,3-17H2,1-2H3,(H2,21,22,23)
InChIKeyQADLCJARZOZFSB-UHFFFAOYSA-N
MW368.57 g/mol
LogP1.84
Rot. Bonds9

About 1-ethyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]-3-(2-methyl-3-morpholin-4-ylpropyl)guanidine

1-ethyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]-3-(2-methyl-3-morpholin-4-ylpropyl)guanidine (PubChem CID 109478079) has the molecular formula C20H40N4O2 and a molecular weight of 368.57 g/mol. Its IUPAC name is 1-ethyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]-3-(2-methyl-3-morpholin-4-ylpropyl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]-3-(2-methyl-3-morpholin-4-ylpropyl)guanidine
PubChem CID109478079
Molecular FormulaC20H40N4O2
Molecular Weight368.57 g/mol
Exact Mass368.32
IUPAC Name1-ethyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]-3-(2-methyl-3-morpholin-4-ylpropyl)guanidine
SMILESCCN/C(=N\CC1(CCO)CCCCC1)NCC(C)CN1CCOCC1
InChIInChI=1S/C20H40N4O2/c1-3-21-19(22-15-18(2)16-24-10-13-26-14-11-24)23-17-20(9-12-25)7-5-4-6-8-20/h18,25H,3-17H2,1-2H3,(H2,21,22,23)
InChIKeyQADLCJARZOZFSB-UHFFFAOYSA-N
XLogP1.84
TPSA69.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.57
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-ethyl-3-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]guanidine
CID 109477392
1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]guanidine;hydroiodide
CID 109470405
1-[2-(azepan-1-yl)ethyl]-3-ethyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]guanidine;hydroiodide
CID 109477303
1-ethyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]-3-propylguanidine
CID 109477756
methyl 3-[[N-ethyl-N'-[[1-(2-hydroxyethyl)cyclohexyl]methyl]carbamimidoyl]amino]-2-methylpropanoate;hydroiodide
CID 109476604
1-[2-[cyclopropyl(methyl)amino]propyl]-3-ethyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]guanidine
CID 109477790
1-ethyl-3-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-2-[(1-piperidin-1-ylcyclohexyl)methyl]guanidine
CID 111292689
1-butyl-3-ethyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]guanidine
CID 109477971
1-(cyclopropylmethyl)-3-ethyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]guanidine
CID 109476862
1-ethyl-3-[2-(2-hydroxyethyl)-4-methylpentyl]-2-[(1-morpholin-4-ylcyclohexyl)methyl]guanidine
CID 111715584
1-ethyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]-3-(2-methoxyethyl)guanidine
CID 109477564
1-ethyl-2-[(1-methylcyclopentyl)methyl]-3-(2-morpholin-4-ylpropyl)guanidine
CID 111760391

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]-3-(2-methyl-3-morpholin-4-ylpropyl)guanidine?
The IUPAC name of 1-ethyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]-3-(2-methyl-3-morpholin-4-ylpropyl)guanidine (CID 109478079) is 1-ethyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]-3-(2-methyl-3-morpholin-4-ylpropyl)guanidine.
What is the SMILES notation for 1-ethyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]-3-(2-methyl-3-morpholin-4-ylpropyl)guanidine?
The canonical SMILES for 1-ethyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]-3-(2-methyl-3-morpholin-4-ylpropyl)guanidine is CCN/C(=N\CC1(CCO)CCCCC1)NCC(C)CN1CCOCC1.
What is the InChIKey of 1-ethyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]-3-(2-methyl-3-morpholin-4-ylpropyl)guanidine?
The InChIKey is QADLCJARZOZFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N4O2/c1-3-21-19(22-15-18(2)16-24-10-13-26-14-11-24)23-17-20(9-12-25)7-5-4-6-8-20/h18,25H,3-17H2,1-2H3,(H2,21,22,23).
What are the key properties of 1-ethyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]-3-(2-methyl-3-morpholin-4-ylpropyl)guanidine?
1-ethyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]-3-(2-methyl-3-morpholin-4-ylpropyl)guanidine has a molecular weight of 368.57 g/mol, XLogP of 1.84, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]-3-(2-methyl-3-morpholin-4-ylpropyl)guanidine is sourced from PubChem (CID 109478079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).