1-(2-methoxyethyl)-2-methyl-3-(3-propan-2-yloxypropyl)guanidine

C11H25N3O2 — CID 110941208

IUPAC1-(2-methoxyethyl)-2-methyl-3-(3-propan-2-yloxypropyl)guanidine
SMILESC/N=C(/NCCCOC(C)C)NCCOC
InChIInChI=1S/C11H25N3O2/c1-10(2)16-8-5-6-13-11(12-3)14-7-9-15-4/h10H,5-9H2,1-4H3,(H2,12,13,14)
InChIKeyYLJCLTMLYXPCSD-UHFFFAOYSA-N
MW231.34 g/mol
LogP0.61
Rot. Bonds8

About 1-(2-methoxyethyl)-2-methyl-3-(3-propan-2-yloxypropyl)guanidine

1-(2-methoxyethyl)-2-methyl-3-(3-propan-2-yloxypropyl)guanidine (PubChem CID 110941208) has the molecular formula C11H25N3O2 and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-2-methyl-3-(3-propan-2-yloxypropyl)guanidine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-2-methyl-3-(3-propan-2-yloxypropyl)guanidine
PubChem CID110941208
Molecular FormulaC11H25N3O2
Molecular Weight231.34 g/mol
Exact Mass231.19
IUPAC Name1-(2-methoxyethyl)-2-methyl-3-(3-propan-2-yloxypropyl)guanidine
SMILESC/N=C(/NCCCOC(C)C)NCCOC
InChIInChI=1S/C11H25N3O2/c1-10(2)16-8-5-6-13-11(12-3)14-7-9-15-4/h10H,5-9H2,1-4H3,(H2,12,13,14)
InChIKeyYLJCLTMLYXPCSD-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-(3-butoxypropyl)-2-methyl-3-(3-propan-2-yloxypropyl)guanidine;hydroiodide
CID 111239728
1-[3-(2-methoxyethoxy)propyl]-3-(2-methoxyethyl)-2-methylguanidine
CID 110942314
1-(2-methoxy-2-methylpropyl)-2-methyl-3-(3-propan-2-yloxypropyl)guanidine;hydroiodide
CID 111606954
1-(2-methoxyethyl)-2-methyl-3-(7-methyloctyl)guanidine
CID 110941010
1-(3-methoxypropyl)-2-methyl-3-(2-methylpropyl)guanidine
CID 110975003
1-[3-[di(propan-2-yl)amino]propyl]-3-(2-methoxyethyl)-2-methylguanidine
CID 111692570
1-(3-ethoxy-4-methylpentyl)-2-methyl-3-(3-propan-2-yloxypropyl)guanidine
CID 111716960
2-methyl-1-[2-(4-methylphenoxy)ethyl]-3-(3-propan-2-yloxypropyl)guanidine;hydroiodide
CID 111246656
1-[2-(2-methoxyethoxy)ethyl]-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine
CID 111405155
1-(3-methoxypropyl)-2-methyl-3-[[4-(propan-2-yloxymethyl)phenyl]methyl]guanidine
CID 110974471
1-[(4-methoxyphenyl)methyl]-2-methyl-3-(3-propan-2-yloxypropyl)guanidine;hydroiodide
CID 111183011
1-(3-methoxypropyl)-2-methyl-3-[3-(1-phenylethoxy)propyl]guanidine
CID 110976301

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-2-methyl-3-(3-propan-2-yloxypropyl)guanidine?
The IUPAC name of 1-(2-methoxyethyl)-2-methyl-3-(3-propan-2-yloxypropyl)guanidine (CID 110941208) is 1-(2-methoxyethyl)-2-methyl-3-(3-propan-2-yloxypropyl)guanidine.
What is the SMILES notation for 1-(2-methoxyethyl)-2-methyl-3-(3-propan-2-yloxypropyl)guanidine?
The canonical SMILES for 1-(2-methoxyethyl)-2-methyl-3-(3-propan-2-yloxypropyl)guanidine is C/N=C(/NCCCOC(C)C)NCCOC.
What is the InChIKey of 1-(2-methoxyethyl)-2-methyl-3-(3-propan-2-yloxypropyl)guanidine?
The InChIKey is YLJCLTMLYXPCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2/c1-10(2)16-8-5-6-13-11(12-3)14-7-9-15-4/h10H,5-9H2,1-4H3,(H2,12,13,14).
What are the key properties of 1-(2-methoxyethyl)-2-methyl-3-(3-propan-2-yloxypropyl)guanidine?
1-(2-methoxyethyl)-2-methyl-3-(3-propan-2-yloxypropyl)guanidine 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-(2-methoxyethyl)-2-methyl-3-(3-propan-2-yloxypropyl)guanidine is sourced from PubChem (CID 110941208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).