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

C10H22N4O2 — CID 104888798

IUPAC1-amino-2-[(3-methoxyoxolan-3-yl)methyl]-3-propylguanidine
SMILESCCCN/C(=N\CC1(OC)CCOC1)NN
InChIInChI=1S/C10H22N4O2/c1-3-5-12-9(14-11)13-7-10(15-2)4-6-16-8-10/h3-8,11H2,1-2H3,(H2,12,13,14)
InChIKeyOPLMBJHEMKHDPU-UHFFFAOYSA-N
MW230.31 g/mol
LogP-0.39
Rot. Bonds5

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

1-amino-2-[(3-methoxyoxolan-3-yl)methyl]-3-propylguanidine (PubChem CID 104888798) has the molecular formula C10H22N4O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-amino-2-[(3-methoxyoxolan-3-yl)methyl]-3-propylguanidine.

Molecular Properties

Compound Name1-amino-2-[(3-methoxyoxolan-3-yl)methyl]-3-propylguanidine
PubChem CID104888798
Molecular FormulaC10H22N4O2
Molecular Weight230.31 g/mol
Exact Mass230.17
IUPAC Name1-amino-2-[(3-methoxyoxolan-3-yl)methyl]-3-propylguanidine
SMILESCCCN/C(=N\CC1(OC)CCOC1)NN
InChIInChI=1S/C10H22N4O2/c1-3-5-12-9(14-11)13-7-10(15-2)4-6-16-8-10/h3-8,11H2,1-2H3,(H2,12,13,14)
InChIKeyOPLMBJHEMKHDPU-UHFFFAOYSA-N
XLogP-0.39
TPSA80.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 5-0.39
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-propylguanidine?
The IUPAC name of 1-amino-2-[(3-methoxyoxolan-3-yl)methyl]-3-propylguanidine (CID 104888798) is 1-amino-2-[(3-methoxyoxolan-3-yl)methyl]-3-propylguanidine.
What is the SMILES notation for 1-amino-2-[(3-methoxyoxolan-3-yl)methyl]-3-propylguanidine?
The canonical SMILES for 1-amino-2-[(3-methoxyoxolan-3-yl)methyl]-3-propylguanidine is CCCN/C(=N\CC1(OC)CCOC1)NN.
What is the InChIKey of 1-amino-2-[(3-methoxyoxolan-3-yl)methyl]-3-propylguanidine?
The InChIKey is OPLMBJHEMKHDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O2/c1-3-5-12-9(14-11)13-7-10(15-2)4-6-16-8-10/h3-8,11H2,1-2H3,(H2,12,13,14).
What are the key properties of 1-amino-2-[(3-methoxyoxolan-3-yl)methyl]-3-propylguanidine?
1-amino-2-[(3-methoxyoxolan-3-yl)methyl]-3-propylguanidine has a molecular weight of 230.31 g/mol, XLogP of -0.39, 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-propylguanidine is sourced from PubChem (CID 104888798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).