2-(3-cyclohexyloxypropyl)-1-ethyl-3-[2-(4-ethylpiperazin-1-yl)ethyl]guanidine

C20H41N5O — CID 111397330

IUPAC2-(3-cyclohexyloxypropyl)-1-ethyl-3-[2-(4-ethylpiperazin-1-yl)ethyl]guanidine
SMILESCCN/C(=N\CCCOC1CCCCC1)NCCN1CCN(CC)CC1
InChIInChI=1S/C20H41N5O/c1-3-21-20(22-11-8-18-26-19-9-6-5-7-10-19)23-12-13-25-16-14-24(4-2)15-17-25/h19H,3-18H2,1-2H3,(H2,21,22,23)
InChIKeyOWKSKGFYJNCRNV-UHFFFAOYSA-N
MW367.58 g/mol
LogP1.92
Rot. Bonds10

About 2-(3-cyclohexyloxypropyl)-1-ethyl-3-[2-(4-ethylpiperazin-1-yl)ethyl]guanidine

2-(3-cyclohexyloxypropyl)-1-ethyl-3-[2-(4-ethylpiperazin-1-yl)ethyl]guanidine (PubChem CID 111397330) has the molecular formula C20H41N5O and a molecular weight of 367.58 g/mol. Its IUPAC name is 2-(3-cyclohexyloxypropyl)-1-ethyl-3-[2-(4-ethylpiperazin-1-yl)ethyl]guanidine.

Molecular Properties

Compound Name2-(3-cyclohexyloxypropyl)-1-ethyl-3-[2-(4-ethylpiperazin-1-yl)ethyl]guanidine
PubChem CID111397330
Molecular FormulaC20H41N5O
Molecular Weight367.58 g/mol
Exact Mass367.33
IUPAC Name2-(3-cyclohexyloxypropyl)-1-ethyl-3-[2-(4-ethylpiperazin-1-yl)ethyl]guanidine
SMILESCCN/C(=N\CCCOC1CCCCC1)NCCN1CCN(CC)CC1
InChIInChI=1S/C20H41N5O/c1-3-21-20(22-11-8-18-26-19-9-6-5-7-10-19)23-12-13-25-16-14-24(4-2)15-17-25/h19H,3-18H2,1-2H3,(H2,21,22,23)
InChIKeyOWKSKGFYJNCRNV-UHFFFAOYSA-N
XLogP1.92
TPSA52.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.58
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(3-cyclohexyloxypropyl)-1-ethyl-3-[4-(4-ethylpiperazin-1-yl)butyl]guanidine;hydroiodide
CID 111397307
2-(3-cyclohexyloxypropyl)-1-ethyl-3-(3-pyrrolidin-1-ylpropyl)guanidine
CID 111398063
2-(3-cyclohexyloxypropyl)-1-ethyl-3-[3-(4-hydroxypiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111397511
2-[3-(cyclopropylmethoxy)propyl]-1-ethyl-3-[2-(4-ethylpiperazin-1-yl)ethyl]guanidine
CID 111391459
2-(3-cyclohexylpropyl)-1-ethyl-3-[2-(4-ethylpiperazin-1-yl)ethyl]guanidine;hydroiodide
CID 111947612
2-(3-cyclohexyloxypropyl)-1-[2-(2,6-dioxopiperidin-1-yl)ethyl]-3-ethylguanidine
CID 111501589
2-(3-cyclohexyloxypropyl)-1-[2-(2,6-dioxopiperidin-1-yl)ethyl]-3-ethylguanidine;hydroiodide
CID 111501588
2-(4-cyclopentylbutyl)-1-ethyl-3-[2-(4-ethylpiperazin-1-yl)ethyl]guanidine
CID 111608992
2-(4-ethoxybutyl)-1-ethyl-3-[2-(4-ethylpiperazin-1-yl)ethyl]guanidine
CID 111945649
2-(3-cyclohexyloxypropyl)-1-ethyl-3-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]guanidine;hydroiodide
CID 111396851
2-(3-butoxypropyl)-1-(3-cyclopentyloxypropyl)-3-ethylguanidine
CID 111238739
1-(3-cyclohexyloxypropyl)-3-[4-(4-ethylpiperazin-1-yl)butyl]-2-methylguanidine
CID 111398115

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclohexyloxypropyl)-1-ethyl-3-[2-(4-ethylpiperazin-1-yl)ethyl]guanidine?
The IUPAC name of 2-(3-cyclohexyloxypropyl)-1-ethyl-3-[2-(4-ethylpiperazin-1-yl)ethyl]guanidine (CID 111397330) is 2-(3-cyclohexyloxypropyl)-1-ethyl-3-[2-(4-ethylpiperazin-1-yl)ethyl]guanidine.
What is the SMILES notation for 2-(3-cyclohexyloxypropyl)-1-ethyl-3-[2-(4-ethylpiperazin-1-yl)ethyl]guanidine?
The canonical SMILES for 2-(3-cyclohexyloxypropyl)-1-ethyl-3-[2-(4-ethylpiperazin-1-yl)ethyl]guanidine is CCN/C(=N\CCCOC1CCCCC1)NCCN1CCN(CC)CC1.
What is the InChIKey of 2-(3-cyclohexyloxypropyl)-1-ethyl-3-[2-(4-ethylpiperazin-1-yl)ethyl]guanidine?
The InChIKey is OWKSKGFYJNCRNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41N5O/c1-3-21-20(22-11-8-18-26-19-9-6-5-7-10-19)23-12-13-25-16-14-24(4-2)15-17-25/h19H,3-18H2,1-2H3,(H2,21,22,23).
What are the key properties of 2-(3-cyclohexyloxypropyl)-1-ethyl-3-[2-(4-ethylpiperazin-1-yl)ethyl]guanidine?
2-(3-cyclohexyloxypropyl)-1-ethyl-3-[2-(4-ethylpiperazin-1-yl)ethyl]guanidine has a molecular weight of 367.58 g/mol, XLogP of 1.92, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclohexyloxypropyl)-1-ethyl-3-[2-(4-ethylpiperazin-1-yl)ethyl]guanidine is sourced from PubChem (CID 111397330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).