1-ethyl-2-[4-(2-methoxyethoxy)butyl]-3-(2-methylcyclopropyl)guanidine

C14H29N3O2 — CID 111962055

IUPAC1-ethyl-2-[4-(2-methoxyethoxy)butyl]-3-(2-methylcyclopropyl)guanidine
SMILESCCN/C(=N\CCCCOCCOC)NC1CC1C
InChIInChI=1S/C14H29N3O2/c1-4-15-14(17-13-11-12(13)2)16-7-5-6-8-19-10-9-18-3/h12-13H,4-11H2,1-3H3,(H2,15,16,17)
InChIKeyMJLCUQRUTDQVLM-UHFFFAOYSA-N
MW271.40 g/mol
LogP1.39
Rot. Bonds10

About 1-ethyl-2-[4-(2-methoxyethoxy)butyl]-3-(2-methylcyclopropyl)guanidine

1-ethyl-2-[4-(2-methoxyethoxy)butyl]-3-(2-methylcyclopropyl)guanidine (PubChem CID 111962055) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is 1-ethyl-2-[4-(2-methoxyethoxy)butyl]-3-(2-methylcyclopropyl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-[4-(2-methoxyethoxy)butyl]-3-(2-methylcyclopropyl)guanidine
PubChem CID111962055
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC Name1-ethyl-2-[4-(2-methoxyethoxy)butyl]-3-(2-methylcyclopropyl)guanidine
SMILESCCN/C(=N\CCCCOCCOC)NC1CC1C
InChIInChI=1S/C14H29N3O2/c1-4-15-14(17-13-11-12(13)2)16-7-5-6-8-19-10-9-18-3/h12-13H,4-11H2,1-3H3,(H2,15,16,17)
InChIKeyMJLCUQRUTDQVLM-UHFFFAOYSA-N
XLogP1.39
TPSA54.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 51.39
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-cyclopropyl-3-ethyl-2-[3-(2-methoxyethoxy)propyl]guanidine
CID 110989253
1-ethyl-3-(2-methylcyclopropyl)-2-[4-(2-phenylethoxy)butyl]guanidine
CID 111961129
1,3-diethyl-2-[3-(2-methoxyethoxy)propyl]guanidine
CID 110926989
1-ethyl-3-(2-methylcyclopropyl)-2-(4-phenylmethoxybutyl)guanidine;hydroiodide
CID 111962110
1-ethyl-2-[3-(2-methoxyethoxy)propyl]-3-[2-(2-methylphenyl)cyclopropyl]guanidine
CID 111776660
1-ethyl-2-[2-[2-methoxyethyl(methyl)amino]ethyl]-3-(2-methylcyclopropyl)guanidine
CID 111962431
tert-butyl 3-[[N-ethyl-N'-[4-(2-methoxyethoxy)butyl]carbamimidoyl]amino]azetidine-1-carboxylate
CID 109465432
1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-[4-(2-methoxyethoxy)butyl]guanidine
CID 111919315
tert-butyl 3-[[N-ethyl-N'-[4-(2-methoxyethoxy)butyl]carbamimidoyl]amino]azetidine-1-carboxylate;hydroiodide
CID 109465431
1-ethyl-3-(2-methylcyclopropyl)-2-[2-(2-methylpropoxy)ethyl]guanidine
CID 111961961
2-[4-(3,5-dimethylpiperidin-1-yl)butyl]-1-ethyl-3-(2-methylcyclopropyl)guanidine
CID 111962905
1-ethyl-3-[2-(2-fluorophenyl)cyclopropyl]-2-[3-(2-methoxyethoxy)propyl]guanidine
CID 111405667

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[4-(2-methoxyethoxy)butyl]-3-(2-methylcyclopropyl)guanidine?
The IUPAC name of 1-ethyl-2-[4-(2-methoxyethoxy)butyl]-3-(2-methylcyclopropyl)guanidine (CID 111962055) is 1-ethyl-2-[4-(2-methoxyethoxy)butyl]-3-(2-methylcyclopropyl)guanidine.
What is the SMILES notation for 1-ethyl-2-[4-(2-methoxyethoxy)butyl]-3-(2-methylcyclopropyl)guanidine?
The canonical SMILES for 1-ethyl-2-[4-(2-methoxyethoxy)butyl]-3-(2-methylcyclopropyl)guanidine is CCN/C(=N\CCCCOCCOC)NC1CC1C.
What is the InChIKey of 1-ethyl-2-[4-(2-methoxyethoxy)butyl]-3-(2-methylcyclopropyl)guanidine?
The InChIKey is MJLCUQRUTDQVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-4-15-14(17-13-11-12(13)2)16-7-5-6-8-19-10-9-18-3/h12-13H,4-11H2,1-3H3,(H2,15,16,17).
What are the key properties of 1-ethyl-2-[4-(2-methoxyethoxy)butyl]-3-(2-methylcyclopropyl)guanidine?
1-ethyl-2-[4-(2-methoxyethoxy)butyl]-3-(2-methylcyclopropyl)guanidine has a molecular weight of 271.40 g/mol, XLogP of 1.39, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[4-(2-methoxyethoxy)butyl]-3-(2-methylcyclopropyl)guanidine is sourced from PubChem (CID 111962055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).