1-(5-cyclohexyloxypentyl)-3-ethyl-2-(pyridin-2-ylmethyl)guanidine

C20H34N4O — CID 111758979

IUPAC1-(5-cyclohexyloxypentyl)-3-ethyl-2-(pyridin-2-ylmethyl)guanidine
SMILESCCN/C(=N\Cc1ccccn1)NCCCCCOC1CCCCC1
InChIInChI=1S/C20H34N4O/c1-2-21-20(24-17-18-11-7-9-14-22-18)23-15-8-4-10-16-25-19-12-5-3-6-13-19/h7,9,11,14,19H,2-6,8,10,12-13,15-17H2,1H3,(H2,21,23,24)
InChIKeyHILMWRKQMMTAIQ-UHFFFAOYSA-N
MW346.52 g/mol
LogP3.66
Rot. Bonds10

About 1-(5-cyclohexyloxypentyl)-3-ethyl-2-(pyridin-2-ylmethyl)guanidine

1-(5-cyclohexyloxypentyl)-3-ethyl-2-(pyridin-2-ylmethyl)guanidine (PubChem CID 111758979) has the molecular formula C20H34N4O and a molecular weight of 346.52 g/mol. Its IUPAC name is 1-(5-cyclohexyloxypentyl)-3-ethyl-2-(pyridin-2-ylmethyl)guanidine.

Molecular Properties

Compound Name1-(5-cyclohexyloxypentyl)-3-ethyl-2-(pyridin-2-ylmethyl)guanidine
PubChem CID111758979
Molecular FormulaC20H34N4O
Molecular Weight346.52 g/mol
Exact Mass346.27
IUPAC Name1-(5-cyclohexyloxypentyl)-3-ethyl-2-(pyridin-2-ylmethyl)guanidine
SMILESCCN/C(=N\Cc1ccccn1)NCCCCCOC1CCCCC1
InChIInChI=1S/C20H34N4O/c1-2-21-20(24-17-18-11-7-9-14-22-18)23-15-8-4-10-16-25-19-12-5-3-6-13-19/h7,9,11,14,19H,2-6,8,10,12-13,15-17H2,1H3,(H2,21,23,24)
InChIKeyHILMWRKQMMTAIQ-UHFFFAOYSA-N
XLogP3.66
TPSA58.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.52
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

1-(3-cyclohexylpropyl)-3-ethyl-2-(pyridin-2-ylmethyl)guanidine
CID 110968990
1-ethyl-3-(5-methoxypentyl)-2-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110968659
1-(5-cyclohexyloxypentyl)-2-methyl-3-(2-pyridin-2-ylethyl)guanidine
CID 111762409
1-(3-cyclohexyloxypropyl)-3-ethyl-2-[(2-methoxy-3-pyridinyl)methyl]guanidine
CID 111397901
1-(3-cyclohexyloxypropyl)-3-ethyl-2-[(2-methoxy-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111397900
1-(3-cyclohexyloxypropyl)-3-ethyl-2-(quinolin-4-ylmethyl)guanidine;hydroiodide
CID 111969120
1-ethyl-3-propyl-2-(pyridin-2-ylmethyl)guanidine
CID 110969500
1-ethyl-3-[4-(pyridin-2-ylamino)butyl]-2-(pyridin-2-ylmethyl)guanidine
CID 110970205
methyl 6-[[N-ethyl-N'-(pyridin-2-ylmethyl)carbamimidoyl]amino]hexanoate;hydroiodide
CID 110969981
1-[2-(2-butoxyethoxy)ethyl]-3-ethyl-2-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 111494229
1-(3-cyclopentyl-3-ethoxypropyl)-3-ethyl-2-(pyridin-2-ylmethyl)guanidine
CID 111966597
1-ethyl-3-[4-(3-methylpiperidin-1-yl)butyl]-2-(pyridin-2-ylmethyl)guanidine
CID 110968466

Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclohexyloxypentyl)-3-ethyl-2-(pyridin-2-ylmethyl)guanidine?
The IUPAC name of 1-(5-cyclohexyloxypentyl)-3-ethyl-2-(pyridin-2-ylmethyl)guanidine (CID 111758979) is 1-(5-cyclohexyloxypentyl)-3-ethyl-2-(pyridin-2-ylmethyl)guanidine.
What is the SMILES notation for 1-(5-cyclohexyloxypentyl)-3-ethyl-2-(pyridin-2-ylmethyl)guanidine?
The canonical SMILES for 1-(5-cyclohexyloxypentyl)-3-ethyl-2-(pyridin-2-ylmethyl)guanidine is CCN/C(=N\Cc1ccccn1)NCCCCCOC1CCCCC1.
What is the InChIKey of 1-(5-cyclohexyloxypentyl)-3-ethyl-2-(pyridin-2-ylmethyl)guanidine?
The InChIKey is HILMWRKQMMTAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O/c1-2-21-20(24-17-18-11-7-9-14-22-18)23-15-8-4-10-16-25-19-12-5-3-6-13-19/h7,9,11,14,19H,2-6,8,10,12-13,15-17H2,1H3,(H2,21,23,24).
What are the key properties of 1-(5-cyclohexyloxypentyl)-3-ethyl-2-(pyridin-2-ylmethyl)guanidine?
1-(5-cyclohexyloxypentyl)-3-ethyl-2-(pyridin-2-ylmethyl)guanidine has a molecular weight of 346.52 g/mol, XLogP of 3.66, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclohexyloxypentyl)-3-ethyl-2-(pyridin-2-ylmethyl)guanidine is sourced from PubChem (CID 111758979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).