N'-propyloxolane-3-carboximidamide

C8H16N2O — CID 65329773

IUPACN'-propyloxolane-3-carboximidamide
SMILESCCC/N=C(\N)C1CCOC1
InChIInChI=1S/C8H16N2O/c1-2-4-10-8(9)7-3-5-11-6-7/h7H,2-6H2,1H3,(H2,9,10)
InChIKeyOTBPVDUJPTYJGZ-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.79
Rot. Bonds3

About N'-propyloxolane-3-carboximidamide

N'-propyloxolane-3-carboximidamide (PubChem CID 65329773) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is N'-propyloxolane-3-carboximidamide.

Molecular Properties

Compound NameN'-propyloxolane-3-carboximidamide
PubChem CID65329773
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC NameN'-propyloxolane-3-carboximidamide
SMILESCCC/N=C(\N)C1CCOC1
InChIInChI=1S/C8H16N2O/c1-2-4-10-8(9)7-3-5-11-6-7/h7H,2-6H2,1H3,(H2,9,10)
InChIKeyOTBPVDUJPTYJGZ-UHFFFAOYSA-N
XLogP0.79
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.79
H-Bond Donors ≤ 51
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 N'-propyloxolane-3-carboximidamide?
The IUPAC name of N'-propyloxolane-3-carboximidamide (CID 65329773) is N'-propyloxolane-3-carboximidamide.
What is the SMILES notation for N'-propyloxolane-3-carboximidamide?
The canonical SMILES for N'-propyloxolane-3-carboximidamide is CCC/N=C(\N)C1CCOC1.
What is the InChIKey of N'-propyloxolane-3-carboximidamide?
The InChIKey is OTBPVDUJPTYJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-2-4-10-8(9)7-3-5-11-6-7/h7H,2-6H2,1H3,(H2,9,10).
What are the key properties of N'-propyloxolane-3-carboximidamide?
N'-propyloxolane-3-carboximidamide has a molecular weight of 156.23 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-propyloxolane-3-carboximidamide is sourced from PubChem (CID 65329773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).