1-cyclopropyl-2-[3-(2-hydroxyethoxy)propyl]-1-methylguanidine

C10H21N3O2 — CID 110031930

IUPAC1-cyclopropyl-2-[3-(2-hydroxyethoxy)propyl]-1-methylguanidine
SMILESCN(/C(N)=N/CCCOCCO)C1CC1
InChIInChI=1S/C10H21N3O2/c1-13(9-3-4-9)10(11)12-5-2-7-15-8-6-14/h9,14H,2-8H2,1H3,(H2,11,12)
InChIKeyLMLGUVHYUDIZFV-UHFFFAOYSA-N
MW215.30 g/mol
LogP-0.21
Rot. Bonds7

About 1-cyclopropyl-2-[3-(2-hydroxyethoxy)propyl]-1-methylguanidine

1-cyclopropyl-2-[3-(2-hydroxyethoxy)propyl]-1-methylguanidine (PubChem CID 110031930) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is 1-cyclopropyl-2-[3-(2-hydroxyethoxy)propyl]-1-methylguanidine.

Molecular Properties

Compound Name1-cyclopropyl-2-[3-(2-hydroxyethoxy)propyl]-1-methylguanidine
PubChem CID110031930
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC Name1-cyclopropyl-2-[3-(2-hydroxyethoxy)propyl]-1-methylguanidine
SMILESCN(/C(N)=N/CCCOCCO)C1CC1
InChIInChI=1S/C10H21N3O2/c1-13(9-3-4-9)10(11)12-5-2-7-15-8-6-14/h9,14H,2-8H2,1H3,(H2,11,12)
InChIKeyLMLGUVHYUDIZFV-UHFFFAOYSA-N
XLogP-0.21
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 5-0.21
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-2-[2-(2-methoxyethoxy)ethyl]-1-methylguanidine;hydroiodide
CID 110030303
1-cyclopropyl-1-methyl-2-[3-(oxolan-2-ylmethoxy)propyl]guanidine
CID 110029628
1-cyclopropyl-1-methyl-2-[3-(1-phenylethoxy)propyl]guanidine;hydroiodide
CID 110029623
1-cyclopropyl-1-methyl-2-[4-(4-methylphenoxy)butyl]guanidine;hydroiodide
CID 110030120
4-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]-N-cyclopropylbutanamide
CID 110030235
1-cyclopropyl-2-[4-(3,5-dimethylpiperidin-1-yl)butyl]-1-methylguanidine
CID 110030113
3-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]-N,N-dimethylpropanamide;hydroiodide
CID 110030278
2-[3-(1-benzylpiperidin-4-yl)oxypropyl]-1-cyclopropyl-1-methylguanidine
CID 110031013
1-cyclopropyl-1-methyl-2-[3-(N-methylanilino)propyl]guanidine;hydroiodide
CID 110029505
1-cyclopropyl-2-[2-(4-ethylpiperazin-1-yl)ethyl]-1-methylguanidine
CID 110030051
1-cyclopropyl-1-methyl-2-[2-(1-methylpiperidin-4-yl)ethyl]guanidine
CID 110030671
1-cyclopropyl-1-methyl-2-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]guanidine
CID 110031890

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[3-(2-hydroxyethoxy)propyl]-1-methylguanidine?
The IUPAC name of 1-cyclopropyl-2-[3-(2-hydroxyethoxy)propyl]-1-methylguanidine (CID 110031930) is 1-cyclopropyl-2-[3-(2-hydroxyethoxy)propyl]-1-methylguanidine.
What is the SMILES notation for 1-cyclopropyl-2-[3-(2-hydroxyethoxy)propyl]-1-methylguanidine?
The canonical SMILES for 1-cyclopropyl-2-[3-(2-hydroxyethoxy)propyl]-1-methylguanidine is CN(/C(N)=N/CCCOCCO)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-[3-(2-hydroxyethoxy)propyl]-1-methylguanidine?
The InChIKey is LMLGUVHYUDIZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-13(9-3-4-9)10(11)12-5-2-7-15-8-6-14/h9,14H,2-8H2,1H3,(H2,11,12).
What are the key properties of 1-cyclopropyl-2-[3-(2-hydroxyethoxy)propyl]-1-methylguanidine?
1-cyclopropyl-2-[3-(2-hydroxyethoxy)propyl]-1-methylguanidine has a molecular weight of 215.30 g/mol, XLogP of -0.21, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[3-(2-hydroxyethoxy)propyl]-1-methylguanidine is sourced from PubChem (CID 110031930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).