1-[2-(2-butoxyethoxy)ethyl]-3-ethyl-2-[(1-methylpiperidin-4-yl)methyl]guanidine

C18H38N4O2 — CID 111693042

IUPAC1-[2-(2-butoxyethoxy)ethyl]-3-ethyl-2-[(1-methylpiperidin-4-yl)methyl]guanidine
SMILESCCCCOCCOCCN/C(=N/CC1CCN(C)CC1)NCC
InChIInChI=1S/C18H38N4O2/c1-4-6-12-23-14-15-24-13-9-20-18(19-5-2)21-16-17-7-10-22(3)11-8-17/h17H,4-16H2,1-3H3,(H2,19,20,21)
InChIKeyBFRGZNFIOYUELU-UHFFFAOYSA-N
MW342.53 g/mol
LogP1.72
Rot. Bonds12

About 1-[2-(2-butoxyethoxy)ethyl]-3-ethyl-2-[(1-methylpiperidin-4-yl)methyl]guanidine

1-[2-(2-butoxyethoxy)ethyl]-3-ethyl-2-[(1-methylpiperidin-4-yl)methyl]guanidine (PubChem CID 111693042) has the molecular formula C18H38N4O2 and a molecular weight of 342.53 g/mol. Its IUPAC name is 1-[2-(2-butoxyethoxy)ethyl]-3-ethyl-2-[(1-methylpiperidin-4-yl)methyl]guanidine.

Molecular Properties

Compound Name1-[2-(2-butoxyethoxy)ethyl]-3-ethyl-2-[(1-methylpiperidin-4-yl)methyl]guanidine
PubChem CID111693042
Molecular FormulaC18H38N4O2
Molecular Weight342.53 g/mol
Exact Mass342.30
IUPAC Name1-[2-(2-butoxyethoxy)ethyl]-3-ethyl-2-[(1-methylpiperidin-4-yl)methyl]guanidine
SMILESCCCCOCCOCCN/C(=N/CC1CCN(C)CC1)NCC
InChIInChI=1S/C18H38N4O2/c1-4-6-12-23-14-15-24-13-9-20-18(19-5-2)21-16-17-7-10-22(3)11-8-17/h17H,4-16H2,1-3H3,(H2,19,20,21)
InChIKeyBFRGZNFIOYUELU-UHFFFAOYSA-N
XLogP1.72
TPSA58.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.53
LogP ≤ 51.72
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

1-[2-(2-butoxyethoxy)ethyl]-3-ethyl-2-[2-(4-methylpiperazin-1-yl)propyl]guanidine;hydroiodide
CID 111693387
2-(cyclopropylmethyl)-1-ethyl-3-[3-(2-methoxyethoxy)propyl]guanidine
CID 111405529
1-(4-ethoxybutyl)-3-ethyl-2-[(1-propylpiperidin-4-yl)methyl]guanidine;hydroiodide
CID 111945706
1-ethyl-3-hexyl-2-[(1-propylpiperidin-4-yl)methyl]guanidine
CID 111160757
1-ethyl-3-[2-(1-methylpiperidin-4-yl)ethyl]-2-pentylguanidine
CID 111129371
1-butyl-3-ethyl-2-[(1-methylpiperidin-3-yl)methyl]guanidine
CID 111761383
2-(cyclopropylmethyl)-1-(3-ethoxypropyl)-3-ethylguanidine
CID 111222685
1-ethyl-3-[3-(2-methoxyethoxy)propyl]-2-[(4-methylcyclohexyl)methyl]guanidine;hydroiodide
CID 111405548
1-(3-butoxypropyl)-2-[(1,1-dioxothiolan-3-yl)methyl]-3-ethylguanidine;hydroiodide
CID 111240150
1-[2-(2-butoxyethoxy)ethyl]-3-ethyl-2-(3-morpholin-4-ylpropyl)guanidine
CID 111494360
1,3-diethyl-2-[(1-propylpiperidin-4-yl)methyl]guanidine
CID 110917818
2-(cyclopropylmethyl)-1-ethyl-3-pentylguanidine;hydroiodide
CID 111128884

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-butoxyethoxy)ethyl]-3-ethyl-2-[(1-methylpiperidin-4-yl)methyl]guanidine?
The IUPAC name of 1-[2-(2-butoxyethoxy)ethyl]-3-ethyl-2-[(1-methylpiperidin-4-yl)methyl]guanidine (CID 111693042) is 1-[2-(2-butoxyethoxy)ethyl]-3-ethyl-2-[(1-methylpiperidin-4-yl)methyl]guanidine.
What is the SMILES notation for 1-[2-(2-butoxyethoxy)ethyl]-3-ethyl-2-[(1-methylpiperidin-4-yl)methyl]guanidine?
The canonical SMILES for 1-[2-(2-butoxyethoxy)ethyl]-3-ethyl-2-[(1-methylpiperidin-4-yl)methyl]guanidine is CCCCOCCOCCN/C(=N/CC1CCN(C)CC1)NCC.
What is the InChIKey of 1-[2-(2-butoxyethoxy)ethyl]-3-ethyl-2-[(1-methylpiperidin-4-yl)methyl]guanidine?
The InChIKey is BFRGZNFIOYUELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N4O2/c1-4-6-12-23-14-15-24-13-9-20-18(19-5-2)21-16-17-7-10-22(3)11-8-17/h17H,4-16H2,1-3H3,(H2,19,20,21).
What are the key properties of 1-[2-(2-butoxyethoxy)ethyl]-3-ethyl-2-[(1-methylpiperidin-4-yl)methyl]guanidine?
1-[2-(2-butoxyethoxy)ethyl]-3-ethyl-2-[(1-methylpiperidin-4-yl)methyl]guanidine has a molecular weight of 342.53 g/mol, XLogP of 1.72, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-butoxyethoxy)ethyl]-3-ethyl-2-[(1-methylpiperidin-4-yl)methyl]guanidine is sourced from PubChem (CID 111693042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).