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

C20H39N5O2 — CID 111911902

IUPAC2-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-1-(3-morpholin-4-ylpropyl)guanidine
SMILESN/C(=N\CC1(CN2CCOCC2)CCCCC1)NCCCN1CCOCC1
InChIInChI=1S/C20H39N5O2/c21-19(22-7-4-8-24-9-13-26-14-10-24)23-17-20(5-2-1-3-6-20)18-25-11-15-27-16-12-25/h1-18H2,(H3,21,22,23)
InChIKeyRYRVJEBJUZRHTK-UHFFFAOYSA-N
MW381.57 g/mol
LogP0.90
Rot. Bonds8

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

2-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-1-(3-morpholin-4-ylpropyl)guanidine (PubChem CID 111911902) has the molecular formula C20H39N5O2 and a molecular weight of 381.57 g/mol. Its IUPAC name is 2-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-1-(3-morpholin-4-ylpropyl)guanidine.

Molecular Properties

Compound Name2-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-1-(3-morpholin-4-ylpropyl)guanidine
PubChem CID111911902
Molecular FormulaC20H39N5O2
Molecular Weight381.57 g/mol
Exact Mass381.31
IUPAC Name2-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-1-(3-morpholin-4-ylpropyl)guanidine
SMILESN/C(=N\CC1(CN2CCOCC2)CCCCC1)NCCCN1CCOCC1
InChIInChI=1S/C20H39N5O2/c21-19(22-7-4-8-24-9-13-26-14-10-24)23-17-20(5-2-1-3-6-20)18-25-11-15-27-16-12-25/h1-18H2,(H3,21,22,23)
InChIKeyRYRVJEBJUZRHTK-UHFFFAOYSA-N
XLogP0.90
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.57
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

2-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-1-prop-2-enylguanidine
CID 111911840
1-(3-morpholin-4-ylpropyl)-2-[(1-thiomorpholin-4-ylcyclopentyl)methyl]guanidine
CID 111067628
2-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]-1-(3-morpholin-4-ylpropyl)guanidine
CID 111821064
2-(1-adamantylmethyl)-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111026426
1-[(1-ethylpyrrolidin-2-yl)methyl]-2-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]guanidine
CID 111911816
2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-(3-morpholin-4-ylpropyl)guanidine
CID 111077161
1-[2-(azepan-1-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111057007
2-[[1-(2-fluorophenyl)cyclopropyl]methyl]-1-(3-morpholin-4-ylpropyl)guanidine
CID 111816574
2-[(1-methylpyrrolidin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)guanidine
CID 111065342
2-[[1-(2-fluorophenyl)cyclopropyl]methyl]-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111816573
1,2-bis(2-morpholin-4-ylethyl)guanidine
CID 141003386
1-(4-morpholin-4-ylbutyl)-2-propylguanidine;hydroiodide
CID 111059844

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-1-(3-morpholin-4-ylpropyl)guanidine?
The IUPAC name of 2-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-1-(3-morpholin-4-ylpropyl)guanidine (CID 111911902) is 2-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-1-(3-morpholin-4-ylpropyl)guanidine.
What is the SMILES notation for 2-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-1-(3-morpholin-4-ylpropyl)guanidine?
The canonical SMILES for 2-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-1-(3-morpholin-4-ylpropyl)guanidine is N/C(=N\CC1(CN2CCOCC2)CCCCC1)NCCCN1CCOCC1.
What is the InChIKey of 2-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-1-(3-morpholin-4-ylpropyl)guanidine?
The InChIKey is RYRVJEBJUZRHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39N5O2/c21-19(22-7-4-8-24-9-13-26-14-10-24)23-17-20(5-2-1-3-6-20)18-25-11-15-27-16-12-25/h1-18H2,(H3,21,22,23).
What are the key properties of 2-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-1-(3-morpholin-4-ylpropyl)guanidine?
2-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-1-(3-morpholin-4-ylpropyl)guanidine has a molecular weight of 381.57 g/mol, XLogP of 0.90, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-1-(3-morpholin-4-ylpropyl)guanidine is sourced from PubChem (CID 111911902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).