1-(oxan-3-yl)-2-propylguanidine

C9H19N3O — CID 63361769

IUPAC1-(oxan-3-yl)-2-propylguanidine
SMILESCCC/N=C(\N)NC1CCCOC1
InChIInChI=1S/C9H19N3O/c1-2-5-11-9(10)12-8-4-3-6-13-7-8/h8H,2-7H2,1H3,(H3,10,11,12)
InChIKeyCRUSLUAZLFDSHM-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.48
Rot. Bonds3

About 1-(oxan-3-yl)-2-propylguanidine

1-(oxan-3-yl)-2-propylguanidine (PubChem CID 63361769) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-(oxan-3-yl)-2-propylguanidine.

Molecular Properties

Compound Name1-(oxan-3-yl)-2-propylguanidine
PubChem CID63361769
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name1-(oxan-3-yl)-2-propylguanidine
SMILESCCC/N=C(\N)NC1CCCOC1
InChIInChI=1S/C9H19N3O/c1-2-5-11-9(10)12-8-4-3-6-13-7-8/h8H,2-7H2,1H3,(H3,10,11,12)
InChIKeyCRUSLUAZLFDSHM-UHFFFAOYSA-N
XLogP0.48
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-3-yl)-2-propylguanidine?
The IUPAC name of 1-(oxan-3-yl)-2-propylguanidine (CID 63361769) is 1-(oxan-3-yl)-2-propylguanidine.
What is the SMILES notation for 1-(oxan-3-yl)-2-propylguanidine?
The canonical SMILES for 1-(oxan-3-yl)-2-propylguanidine is CCC/N=C(\N)NC1CCCOC1.
What is the InChIKey of 1-(oxan-3-yl)-2-propylguanidine?
The InChIKey is CRUSLUAZLFDSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-2-5-11-9(10)12-8-4-3-6-13-7-8/h8H,2-7H2,1H3,(H3,10,11,12).
What are the key properties of 1-(oxan-3-yl)-2-propylguanidine?
1-(oxan-3-yl)-2-propylguanidine has a molecular weight of 185.27 g/mol, XLogP of 0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-3-yl)-2-propylguanidine is sourced from PubChem (CID 63361769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).