1-cyclopropyl-2-[(3-methoxyoxolan-3-yl)methyl]guanidine

C10H19N3O2 — CID 104704459

IUPAC1-cyclopropyl-2-[(3-methoxyoxolan-3-yl)methyl]guanidine
SMILESCOC1(C/N=C(\N)NC2CC2)CCOC1
InChIInChI=1S/C10H19N3O2/c1-14-10(4-5-15-7-10)6-12-9(11)13-8-2-3-8/h8H,2-7H2,1H3,(H3,11,12,13)
InChIKeyQMQXBLLYPYNNKM-UHFFFAOYSA-N
MW213.28 g/mol
LogP-0.14
Rot. Bonds4

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

1-cyclopropyl-2-[(3-methoxyoxolan-3-yl)methyl]guanidine (PubChem CID 104704459) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 1-cyclopropyl-2-[(3-methoxyoxolan-3-yl)methyl]guanidine.

Molecular Properties

Compound Name1-cyclopropyl-2-[(3-methoxyoxolan-3-yl)methyl]guanidine
PubChem CID104704459
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name1-cyclopropyl-2-[(3-methoxyoxolan-3-yl)methyl]guanidine
SMILESCOC1(C/N=C(\N)NC2CC2)CCOC1
InChIInChI=1S/C10H19N3O2/c1-14-10(4-5-15-7-10)6-12-9(11)13-8-2-3-8/h8H,2-7H2,1H3,(H3,11,12,13)
InChIKeyQMQXBLLYPYNNKM-UHFFFAOYSA-N
XLogP-0.14
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 5-0.14
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-Cyclopropyl-2-[(3-hydroxyoxolan-3-yl)methyl]guanidine
CID 103847254
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
2-[(3-Methoxyoxolan-3-yl)methyl]-1-propylguanidine
CID 104704492
1-Amino-3-cyclopropyl-2-[(3-methoxyoxolan-3-yl)methyl]guanidine
CID 104888802
2-[(3-Hydroxyoxolan-3-yl)methyl]-1-propan-2-ylguanidine
CID 106101999
2-[(3-Hydroxyoxolan-3-yl)methyl]-1-propylguanidine
CID 106102002

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[(3-methoxyoxolan-3-yl)methyl]guanidine?
The IUPAC name of 1-cyclopropyl-2-[(3-methoxyoxolan-3-yl)methyl]guanidine (CID 104704459) is 1-cyclopropyl-2-[(3-methoxyoxolan-3-yl)methyl]guanidine.
What is the SMILES notation for 1-cyclopropyl-2-[(3-methoxyoxolan-3-yl)methyl]guanidine?
The canonical SMILES for 1-cyclopropyl-2-[(3-methoxyoxolan-3-yl)methyl]guanidine is COC1(C/N=C(\N)NC2CC2)CCOC1.
What is the InChIKey of 1-cyclopropyl-2-[(3-methoxyoxolan-3-yl)methyl]guanidine?
The InChIKey is QMQXBLLYPYNNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-14-10(4-5-15-7-10)6-12-9(11)13-8-2-3-8/h8H,2-7H2,1H3,(H3,11,12,13).
What are the key properties of 1-cyclopropyl-2-[(3-methoxyoxolan-3-yl)methyl]guanidine?
1-cyclopropyl-2-[(3-methoxyoxolan-3-yl)methyl]guanidine has a molecular weight of 213.28 g/mol, XLogP of -0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[(3-methoxyoxolan-3-yl)methyl]guanidine is sourced from PubChem (CID 104704459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).