2-[(3-methoxyoxolan-3-yl)methyl]-1-propylguanidine

C10H21N3O2 — CID 104704492

IUPAC2-[(3-methoxyoxolan-3-yl)methyl]-1-propylguanidine
SMILESCCCN/C(N)=N/CC1(OC)CCOC1
InChIInChI=1S/C10H21N3O2/c1-3-5-12-9(11)13-7-10(14-2)4-6-15-8-10/h3-8H2,1-2H3,(H3,11,12,13)
InChIKeyQDNYAHGSJAIHOL-UHFFFAOYSA-N
MW215.30 g/mol
LogP0.11
Rot. Bonds5

About 2-[(3-methoxyoxolan-3-yl)methyl]-1-propylguanidine

2-[(3-methoxyoxolan-3-yl)methyl]-1-propylguanidine (PubChem CID 104704492) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-[(3-methoxyoxolan-3-yl)methyl]-1-propylguanidine.

Molecular Properties

Compound Name2-[(3-methoxyoxolan-3-yl)methyl]-1-propylguanidine
PubChem CID104704492
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC Name2-[(3-methoxyoxolan-3-yl)methyl]-1-propylguanidine
SMILESCCCN/C(N)=N/CC1(OC)CCOC1
InChIInChI=1S/C10H21N3O2/c1-3-5-12-9(11)13-7-10(14-2)4-6-15-8-10/h3-8H2,1-2H3,(H3,11,12,13)
InChIKeyQDNYAHGSJAIHOL-UHFFFAOYSA-N
XLogP0.11
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-[(3-Hydroxyoxolan-3-yl)methyl]-2-methylguanidine
CID 103847255
1-Cyclopropyl-2-[(3-methoxyoxolan-3-yl)methyl]guanidine
CID 104704459
1-[(3-Methoxyoxolan-3-yl)methyl]-2-methylguanidine
CID 104704460
N-[(3-methoxyoxolan-3-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine
CID 104704461
1-Ethyl-2-[(3-methoxyoxolan-3-yl)methyl]guanidine
CID 104704486
1-Tert-butyl-2-[(3-methoxyoxolan-3-yl)methyl]guanidine
CID 104704487
2-[(3-Methoxyoxolan-3-yl)methyl]-1-propan-2-ylguanidine
CID 104704488
2-[(3-Methoxyoxolan-3-yl)methyl]-1-(2-methylpropyl)guanidine
CID 104704489
1-Cyclohexyl-2-[(3-methoxyoxolan-3-yl)methyl]guanidine
CID 104704491
N-[(3-methoxyoxolan-3-yl)methyl]-3,4-dihydro-2H-pyrrol-5-amine
CID 104760800
1-Amino-3-(3-ethoxypropyl)-2-[(3-methoxyoxolan-3-yl)methyl]guanidine
CID 104888796
1-Amino-3-ethyl-2-[(3-methoxyoxolan-3-yl)methyl]guanidine
CID 104888797

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyoxolan-3-yl)methyl]-1-propylguanidine?
The IUPAC name of 2-[(3-methoxyoxolan-3-yl)methyl]-1-propylguanidine (CID 104704492) is 2-[(3-methoxyoxolan-3-yl)methyl]-1-propylguanidine.
What is the SMILES notation for 2-[(3-methoxyoxolan-3-yl)methyl]-1-propylguanidine?
The canonical SMILES for 2-[(3-methoxyoxolan-3-yl)methyl]-1-propylguanidine is CCCN/C(N)=N/CC1(OC)CCOC1.
What is the InChIKey of 2-[(3-methoxyoxolan-3-yl)methyl]-1-propylguanidine?
The InChIKey is QDNYAHGSJAIHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-3-5-12-9(11)13-7-10(14-2)4-6-15-8-10/h3-8H2,1-2H3,(H3,11,12,13).
What are the key properties of 2-[(3-methoxyoxolan-3-yl)methyl]-1-propylguanidine?
2-[(3-methoxyoxolan-3-yl)methyl]-1-propylguanidine has a molecular weight of 215.30 g/mol, XLogP of 0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyoxolan-3-yl)methyl]-1-propylguanidine is sourced from PubChem (CID 104704492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).