1-butan-2-yl-3-[2-(2-methoxyethoxy)ethyl]-2-methylguanidine

C11H25N3O2 — CID 110943648

IUPAC1-butan-2-yl-3-[2-(2-methoxyethoxy)ethyl]-2-methylguanidine
SMILESCCC(C)N/C(=N/C)NCCOCCOC
InChIInChI=1S/C11H25N3O2/c1-5-10(2)14-11(12-3)13-6-7-16-9-8-15-4/h10H,5-9H2,1-4H3,(H2,12,13,14)
InChIKeyUHLVRFYPYUSHAI-UHFFFAOYSA-N
MW231.34 g/mol
LogP0.61
Rot. Bonds8

About 1-butan-2-yl-3-[2-(2-methoxyethoxy)ethyl]-2-methylguanidine

1-butan-2-yl-3-[2-(2-methoxyethoxy)ethyl]-2-methylguanidine (PubChem CID 110943648) has the molecular formula C11H25N3O2 and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-butan-2-yl-3-[2-(2-methoxyethoxy)ethyl]-2-methylguanidine.

Molecular Properties

Compound Name1-butan-2-yl-3-[2-(2-methoxyethoxy)ethyl]-2-methylguanidine
PubChem CID110943648
Molecular FormulaC11H25N3O2
Molecular Weight231.34 g/mol
Exact Mass231.19
IUPAC Name1-butan-2-yl-3-[2-(2-methoxyethoxy)ethyl]-2-methylguanidine
SMILESCCC(C)N/C(=N/C)NCCOCCOC
InChIInChI=1S/C11H25N3O2/c1-5-10(2)14-11(12-3)13-6-7-16-9-8-15-4/h10H,5-9H2,1-4H3,(H2,12,13,14)
InChIKeyUHLVRFYPYUSHAI-UHFFFAOYSA-N
XLogP0.61
TPSA54.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 50.61
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-[2-(2-methoxyethoxy)ethyl]-2-methyl-3-(5-methylhexan-2-yl)guanidine
CID 111203382
1-butan-2-yl-3-(2-ethoxyethyl)-2-methylguanidine;hydroiodide
CID 110946213
1-[2-(2-methoxyethoxy)ethyl]-3-(2-methoxyethyl)-2-methylguanidine
CID 110939828
1-butan-2-yl-2-methyl-3-[2-(2-methylsulfonylethoxy)ethyl]guanidine;hydroiodide
CID 111492005
1-(2-ethoxyethyl)-3-[2-(2-methoxyethoxy)ethyl]-2-methylguanidine
CID 111894597
1-butan-2-yl-3-(3-butoxypropyl)-2-methylguanidine
CID 110944688
N-butan-2-yl-3-[[N-(2-methoxyethyl)-N'-methylcarbamimidoyl]amino]propanamide
CID 110942520
1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-(5-methylhexan-2-yl)guanidine
CID 111204562
1-[2-(2-methoxyethoxy)ethyl]-2-methyl-3-(4-phenylbutan-2-yl)guanidine
CID 111171807
1-(2-methoxyethyl)-3-(1-methoxypropan-2-yl)-2-methylguanidine;hydroiodide
CID 111237010
1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-octan-2-ylguanidine;hydroiodide
CID 111212994
1-[2-(2-methoxyethoxy)ethyl]-2-methyl-3-(4-phenylbutan-2-yl)guanidine;hydroiodide
CID 111171806

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3-[2-(2-methoxyethoxy)ethyl]-2-methylguanidine?
The IUPAC name of 1-butan-2-yl-3-[2-(2-methoxyethoxy)ethyl]-2-methylguanidine (CID 110943648) is 1-butan-2-yl-3-[2-(2-methoxyethoxy)ethyl]-2-methylguanidine.
What is the SMILES notation for 1-butan-2-yl-3-[2-(2-methoxyethoxy)ethyl]-2-methylguanidine?
The canonical SMILES for 1-butan-2-yl-3-[2-(2-methoxyethoxy)ethyl]-2-methylguanidine is CCC(C)N/C(=N/C)NCCOCCOC.
What is the InChIKey of 1-butan-2-yl-3-[2-(2-methoxyethoxy)ethyl]-2-methylguanidine?
The InChIKey is UHLVRFYPYUSHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2/c1-5-10(2)14-11(12-3)13-6-7-16-9-8-15-4/h10H,5-9H2,1-4H3,(H2,12,13,14).
What are the key properties of 1-butan-2-yl-3-[2-(2-methoxyethoxy)ethyl]-2-methylguanidine?
1-butan-2-yl-3-[2-(2-methoxyethoxy)ethyl]-2-methylguanidine has a molecular weight of 231.34 g/mol, XLogP of 0.61, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-3-[2-(2-methoxyethoxy)ethyl]-2-methylguanidine is sourced from PubChem (CID 110943648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).