1-amino-3-[(3-methoxyoxolan-3-yl)methyl]-2-methylguanidine

C8H18N4O2 — CID 104882482

IUPAC1-amino-3-[(3-methoxyoxolan-3-yl)methyl]-2-methylguanidine
SMILESC/N=C(\NN)NCC1(OC)CCOC1
InChIInChI=1S/C8H18N4O2/c1-10-7(12-9)11-5-8(13-2)3-4-14-6-8/h3-6,9H2,1-2H3,(H2,10,11,12)
InChIKeyVMOUNKYZLIKXOI-UHFFFAOYSA-N
MW202.26 g/mol
LogP-1.17
Rot. Bonds3

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

1-amino-3-[(3-methoxyoxolan-3-yl)methyl]-2-methylguanidine (PubChem CID 104882482) has the molecular formula C8H18N4O2 and a molecular weight of 202.26 g/mol. Its IUPAC name is 1-amino-3-[(3-methoxyoxolan-3-yl)methyl]-2-methylguanidine.

Molecular Properties

Compound Name1-amino-3-[(3-methoxyoxolan-3-yl)methyl]-2-methylguanidine
PubChem CID104882482
Molecular FormulaC8H18N4O2
Molecular Weight202.26 g/mol
Exact Mass202.14
IUPAC Name1-amino-3-[(3-methoxyoxolan-3-yl)methyl]-2-methylguanidine
SMILESC/N=C(\NN)NCC1(OC)CCOC1
InChIInChI=1S/C8H18N4O2/c1-10-7(12-9)11-5-8(13-2)3-4-14-6-8/h3-6,9H2,1-2H3,(H2,10,11,12)
InChIKeyVMOUNKYZLIKXOI-UHFFFAOYSA-N
XLogP-1.17
TPSA80.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 5-1.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(3-Methoxyoxolan-3-yl)methyl]-2-methylguanidine
CID 104704460
1-Amino-3-(1-methoxypropan-2-yl)-2-(oxolan-3-ylmethyl)guanidine
CID 104882632
1-Amino-3-(3-methoxypropyl)-2-(oxolan-3-ylmethyl)guanidine
CID 104882637
1-Amino-3-(2-methoxyethyl)-2-(oxolan-3-ylmethyl)guanidine
CID 104882642
1-Amino-2-[(3-methoxyoxolan-3-yl)methyl]-3-(1-methoxypropan-2-yl)guanidine
CID 104888795
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
1-Amino-2-[(3-methoxyoxolan-3-yl)methyl]-3-propylguanidine
CID 104888798
1-Amino-3-cyclohexyl-2-[(3-methoxyoxolan-3-yl)methyl]guanidine
CID 104888799
1-Amino-2-[(3-methoxyoxolan-3-yl)methyl]-3-propan-2-ylguanidine
CID 104888800
1-Amino-2-[(3-methoxyoxolan-3-yl)methyl]-3-(2-methylpropyl)guanidine
CID 104888801
1-Amino-3-cyclopropyl-2-[(3-methoxyoxolan-3-yl)methyl]guanidine
CID 104888802

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[(3-methoxyoxolan-3-yl)methyl]-2-methylguanidine?
The IUPAC name of 1-amino-3-[(3-methoxyoxolan-3-yl)methyl]-2-methylguanidine (CID 104882482) is 1-amino-3-[(3-methoxyoxolan-3-yl)methyl]-2-methylguanidine.
What is the SMILES notation for 1-amino-3-[(3-methoxyoxolan-3-yl)methyl]-2-methylguanidine?
The canonical SMILES for 1-amino-3-[(3-methoxyoxolan-3-yl)methyl]-2-methylguanidine is C/N=C(\NN)NCC1(OC)CCOC1.
What is the InChIKey of 1-amino-3-[(3-methoxyoxolan-3-yl)methyl]-2-methylguanidine?
The InChIKey is VMOUNKYZLIKXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4O2/c1-10-7(12-9)11-5-8(13-2)3-4-14-6-8/h3-6,9H2,1-2H3,(H2,10,11,12).
What are the key properties of 1-amino-3-[(3-methoxyoxolan-3-yl)methyl]-2-methylguanidine?
1-amino-3-[(3-methoxyoxolan-3-yl)methyl]-2-methylguanidine has a molecular weight of 202.26 g/mol, XLogP of -1.17, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[(3-methoxyoxolan-3-yl)methyl]-2-methylguanidine is sourced from PubChem (CID 104882482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).