1-[2-(2-butoxyethoxy)ethyl]-2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-3-ethylguanidine

C19H40N4O3 — CID 111694194

IUPAC1-[2-(2-butoxyethoxy)ethyl]-2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-3-ethylguanidine
SMILESCCCCOCCOCCN/C(=N/CCN(CCOC)C1CC1)NCC
InChIInChI=1S/C19H40N4O3/c1-4-6-13-25-16-17-26-14-10-22-19(20-5-2)21-9-11-23(12-15-24-3)18-7-8-18/h18H,4-17H2,1-3H3,(H2,20,21,22)
InChIKeyFQGBVYZZJCDJEF-UHFFFAOYSA-N
MW372.55 g/mol
LogP1.49
Rot. Bonds17

About 1-[2-(2-butoxyethoxy)ethyl]-2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-3-ethylguanidine

1-[2-(2-butoxyethoxy)ethyl]-2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-3-ethylguanidine (PubChem CID 111694194) has the molecular formula C19H40N4O3 and a molecular weight of 372.55 g/mol. Its IUPAC name is 1-[2-(2-butoxyethoxy)ethyl]-2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-3-ethylguanidine.

Molecular Properties

Compound Name1-[2-(2-butoxyethoxy)ethyl]-2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-3-ethylguanidine
PubChem CID111694194
Molecular FormulaC19H40N4O3
Molecular Weight372.55 g/mol
Exact Mass372.31
IUPAC Name1-[2-(2-butoxyethoxy)ethyl]-2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-3-ethylguanidine
SMILESCCCCOCCOCCN/C(=N/CCN(CCOC)C1CC1)NCC
InChIInChI=1S/C19H40N4O3/c1-4-6-13-25-16-17-26-14-10-22-19(20-5-2)21-9-11-23(12-15-24-3)18-7-8-18/h18H,4-17H2,1-3H3,(H2,20,21,22)
InChIKeyFQGBVYZZJCDJEF-UHFFFAOYSA-N
XLogP1.49
TPSA67.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.55
LogP ≤ 51.49
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

N-[2-[[N'-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-N-ethylcarbamimidoyl]amino]ethyl]cyclopropanecarboxamide;hydroiodide
CID 111927563
2-(3-butoxypropyl)-1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-ethylguanidine;hydroiodide
CID 111239528
2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-ethyl-3-(4-methylcyclohexyl)guanidine;hydroiodide
CID 111256762
1-ethyl-3-[2-(2-methoxyethoxy)ethyl]-2-[3-(2-methoxyethoxy)propyl]guanidine
CID 111404627
1-[2-(2-butoxyethoxy)ethyl]-2-[2-[di(propan-2-yl)amino]ethyl]-3-ethylguanidine;hydroiodide
CID 111499432
2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-ethyl-3-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111237120
2-(3-butoxypropyl)-1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-ethylguanidine
CID 111240091
1-butyl-3-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-2-methylguanidine
CID 111149772
1-[3-(dimethylamino)propyl]-3-ethyl-2-[3-(2-methoxyethoxy)propyl]guanidine
CID 111406491
1-[2-(2-butoxyethoxy)ethyl]-3-ethyl-2-(3-methylbutyl)guanidine
CID 111494992
2-[2-[di(propan-2-yl)amino]ethyl]-1-ethyl-3-[2-(2-methoxyethoxy)ethyl]guanidine;hydroiodide
CID 111247386
1-(2-butoxyethyl)-2-[3-(cyclopropylmethoxy)propyl]-3-ethylguanidine;hydroiodide
CID 111392052

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-butoxyethoxy)ethyl]-2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-3-ethylguanidine?
The IUPAC name of 1-[2-(2-butoxyethoxy)ethyl]-2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-3-ethylguanidine (CID 111694194) is 1-[2-(2-butoxyethoxy)ethyl]-2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-3-ethylguanidine.
What is the SMILES notation for 1-[2-(2-butoxyethoxy)ethyl]-2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-3-ethylguanidine?
The canonical SMILES for 1-[2-(2-butoxyethoxy)ethyl]-2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-3-ethylguanidine is CCCCOCCOCCN/C(=N/CCN(CCOC)C1CC1)NCC.
What is the InChIKey of 1-[2-(2-butoxyethoxy)ethyl]-2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-3-ethylguanidine?
The InChIKey is FQGBVYZZJCDJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40N4O3/c1-4-6-13-25-16-17-26-14-10-22-19(20-5-2)21-9-11-23(12-15-24-3)18-7-8-18/h18H,4-17H2,1-3H3,(H2,20,21,22).
What are the key properties of 1-[2-(2-butoxyethoxy)ethyl]-2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-3-ethylguanidine?
1-[2-(2-butoxyethoxy)ethyl]-2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-3-ethylguanidine has a molecular weight of 372.55 g/mol, XLogP of 1.49, 17 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-butoxyethoxy)ethyl]-2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-3-ethylguanidine is sourced from PubChem (CID 111694194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).