2-[(3-methoxyoxolan-3-yl)methyl]-1-propan-2-ylguanidine

C10H21N3O2 — CID 104704488

IUPAC2-[(3-methoxyoxolan-3-yl)methyl]-1-propan-2-ylguanidine
SMILESCOC1(C/N=C(\N)NC(C)C)CCOC1
InChIInChI=1S/C10H21N3O2/c1-8(2)13-9(11)12-6-10(14-3)4-5-15-7-10/h8H,4-7H2,1-3H3,(H3,11,12,13)
InChIKeyMWCJGCUXDHDPLX-UHFFFAOYSA-N
MW215.30 g/mol
LogP0.10
Rot. Bonds4

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

2-[(3-methoxyoxolan-3-yl)methyl]-1-propan-2-ylguanidine (PubChem CID 104704488) 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-propan-2-ylguanidine.

Molecular Properties

Compound Name2-[(3-methoxyoxolan-3-yl)methyl]-1-propan-2-ylguanidine
PubChem CID104704488
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC Name2-[(3-methoxyoxolan-3-yl)methyl]-1-propan-2-ylguanidine
SMILESCOC1(C/N=C(\N)NC(C)C)CCOC1
InChIInChI=1S/C10H21N3O2/c1-8(2)13-9(11)12-6-10(14-3)4-5-15-7-10/h8H,4-7H2,1-3H3,(H3,11,12,13)
InChIKeyMWCJGCUXDHDPLX-UHFFFAOYSA-N
XLogP0.10
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 50.10
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-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-(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-2-[(3-methoxyoxolan-3-yl)methyl]-3-(1-methoxypropan-2-yl)guanidine
CID 104888795
1-Amino-2-[(3-methoxyoxolan-3-yl)methyl]-3-propan-2-ylguanidine
CID 104888800
2-[(3-Hydroxyoxolan-3-yl)methyl]-1-(2-methylpropyl)guanidine
CID 106101997

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyoxolan-3-yl)methyl]-1-propan-2-ylguanidine?
The IUPAC name of 2-[(3-methoxyoxolan-3-yl)methyl]-1-propan-2-ylguanidine (CID 104704488) is 2-[(3-methoxyoxolan-3-yl)methyl]-1-propan-2-ylguanidine.
What is the SMILES notation for 2-[(3-methoxyoxolan-3-yl)methyl]-1-propan-2-ylguanidine?
The canonical SMILES for 2-[(3-methoxyoxolan-3-yl)methyl]-1-propan-2-ylguanidine is COC1(C/N=C(\N)NC(C)C)CCOC1.
What is the InChIKey of 2-[(3-methoxyoxolan-3-yl)methyl]-1-propan-2-ylguanidine?
The InChIKey is MWCJGCUXDHDPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-8(2)13-9(11)12-6-10(14-3)4-5-15-7-10/h8H,4-7H2,1-3H3,(H3,11,12,13).
What are the key properties of 2-[(3-methoxyoxolan-3-yl)methyl]-1-propan-2-ylguanidine?
2-[(3-methoxyoxolan-3-yl)methyl]-1-propan-2-ylguanidine has a molecular weight of 215.30 g/mol, XLogP of 0.10, 4 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-propan-2-ylguanidine is sourced from PubChem (CID 104704488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).