N'-[1-(oxolan-2-yl)ethyl]propanimidamide

C9H18N2O — CID 63175722

IUPACN'-[1-(oxolan-2-yl)ethyl]propanimidamide
SMILESCC/C(N)=N\C(C)C1CCCO1
InChIInChI=1S/C9H18N2O/c1-3-9(10)11-7(2)8-5-4-6-12-8/h7-8H,3-6H2,1-2H3,(H2,10,11)
InChIKeyGHLPXAIQIXTTMB-UHFFFAOYSA-N
MW170.26 g/mol
LogP1.32
Rot. Bonds3

About N'-[1-(oxolan-2-yl)ethyl]propanimidamide

N'-[1-(oxolan-2-yl)ethyl]propanimidamide (PubChem CID 63175722) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is N'-[1-(oxolan-2-yl)ethyl]propanimidamide.

Molecular Properties

Compound NameN'-[1-(oxolan-2-yl)ethyl]propanimidamide
PubChem CID63175722
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC NameN'-[1-(oxolan-2-yl)ethyl]propanimidamide
SMILESCC/C(N)=N\C(C)C1CCCO1
InChIInChI=1S/C9H18N2O/c1-3-9(10)11-7(2)8-5-4-6-12-8/h7-8H,3-6H2,1-2H3,(H2,10,11)
InChIKeyGHLPXAIQIXTTMB-UHFFFAOYSA-N
XLogP1.32
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 51.32
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'-[1-(oxolan-2-yl)ethyl]propanimidamide?
The IUPAC name of N'-[1-(oxolan-2-yl)ethyl]propanimidamide (CID 63175722) is N'-[1-(oxolan-2-yl)ethyl]propanimidamide.
What is the SMILES notation for N'-[1-(oxolan-2-yl)ethyl]propanimidamide?
The canonical SMILES for N'-[1-(oxolan-2-yl)ethyl]propanimidamide is CC/C(N)=N\C(C)C1CCCO1.
What is the InChIKey of N'-[1-(oxolan-2-yl)ethyl]propanimidamide?
The InChIKey is GHLPXAIQIXTTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-3-9(10)11-7(2)8-5-4-6-12-8/h7-8H,3-6H2,1-2H3,(H2,10,11).
What are the key properties of N'-[1-(oxolan-2-yl)ethyl]propanimidamide?
N'-[1-(oxolan-2-yl)ethyl]propanimidamide has a molecular weight of 170.26 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(oxolan-2-yl)ethyl]propanimidamide is sourced from PubChem (CID 63175722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).