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

C11H24N4O2 — CID 104888801

IUPAC1-amino-2-[(3-methoxyoxolan-3-yl)methyl]-3-(2-methylpropyl)guanidine
SMILESCOC1(C/N=C(/NN)NCC(C)C)CCOC1
InChIInChI=1S/C11H24N4O2/c1-9(2)6-13-10(15-12)14-7-11(16-3)4-5-17-8-11/h9H,4-8,12H2,1-3H3,(H2,13,14,15)
InChIKeyZYGDVESLCJEKSM-UHFFFAOYSA-N
MW244.34 g/mol
LogP-0.14
Rot. Bonds5

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

1-amino-2-[(3-methoxyoxolan-3-yl)methyl]-3-(2-methylpropyl)guanidine (PubChem CID 104888801) has the molecular formula C11H24N4O2 and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-amino-2-[(3-methoxyoxolan-3-yl)methyl]-3-(2-methylpropyl)guanidine.

Molecular Properties

Compound Name1-amino-2-[(3-methoxyoxolan-3-yl)methyl]-3-(2-methylpropyl)guanidine
PubChem CID104888801
Molecular FormulaC11H24N4O2
Molecular Weight244.34 g/mol
Exact Mass244.19
IUPAC Name1-amino-2-[(3-methoxyoxolan-3-yl)methyl]-3-(2-methylpropyl)guanidine
SMILESCOC1(C/N=C(/NN)NCC(C)C)CCOC1
InChIInChI=1S/C11H24N4O2/c1-9(2)6-13-10(15-12)14-7-11(16-3)4-5-17-8-11/h9H,4-8,12H2,1-3H3,(H2,13,14,15)
InChIKeyZYGDVESLCJEKSM-UHFFFAOYSA-N
XLogP-0.14
TPSA80.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 5-0.14
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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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-[(3-methoxyoxolan-3-yl)methyl]-3-(2-methylpropyl)guanidine?
The IUPAC name of 1-amino-2-[(3-methoxyoxolan-3-yl)methyl]-3-(2-methylpropyl)guanidine (CID 104888801) is 1-amino-2-[(3-methoxyoxolan-3-yl)methyl]-3-(2-methylpropyl)guanidine.
What is the SMILES notation for 1-amino-2-[(3-methoxyoxolan-3-yl)methyl]-3-(2-methylpropyl)guanidine?
The canonical SMILES for 1-amino-2-[(3-methoxyoxolan-3-yl)methyl]-3-(2-methylpropyl)guanidine is COC1(C/N=C(/NN)NCC(C)C)CCOC1.
What is the InChIKey of 1-amino-2-[(3-methoxyoxolan-3-yl)methyl]-3-(2-methylpropyl)guanidine?
The InChIKey is ZYGDVESLCJEKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O2/c1-9(2)6-13-10(15-12)14-7-11(16-3)4-5-17-8-11/h9H,4-8,12H2,1-3H3,(H2,13,14,15).
What are the key properties of 1-amino-2-[(3-methoxyoxolan-3-yl)methyl]-3-(2-methylpropyl)guanidine?
1-amino-2-[(3-methoxyoxolan-3-yl)methyl]-3-(2-methylpropyl)guanidine has a molecular weight of 244.34 g/mol, XLogP of -0.14, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[(3-methoxyoxolan-3-yl)methyl]-3-(2-methylpropyl)guanidine is sourced from PubChem (CID 104888801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).