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

C8H16N2O — CID 63173399

IUPACN'-[1-(oxolan-2-yl)ethyl]ethanimidamide
SMILESC/C(N)=N\C(C)C1CCCO1
InChIInChI=1S/C8H16N2O/c1-6(10-7(2)9)8-4-3-5-11-8/h6,8H,3-5H2,1-2H3,(H2,9,10)
InChIKeyYXZWYHWUPRSMLP-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.93
Rot. Bonds2

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

N'-[1-(oxolan-2-yl)ethyl]ethanimidamide (PubChem CID 63173399) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is N'-[1-(oxolan-2-yl)ethyl]ethanimidamide.

Molecular Properties

Compound NameN'-[1-(oxolan-2-yl)ethyl]ethanimidamide
PubChem CID63173399
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC NameN'-[1-(oxolan-2-yl)ethyl]ethanimidamide
SMILESC/C(N)=N\C(C)C1CCCO1
InChIInChI=1S/C8H16N2O/c1-6(10-7(2)9)8-4-3-5-11-8/h6,8H,3-5H2,1-2H3,(H2,9,10)
InChIKeyYXZWYHWUPRSMLP-UHFFFAOYSA-N
XLogP0.93
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.93
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]ethanimidamide?
The IUPAC name of N'-[1-(oxolan-2-yl)ethyl]ethanimidamide (CID 63173399) is N'-[1-(oxolan-2-yl)ethyl]ethanimidamide.
What is the SMILES notation for N'-[1-(oxolan-2-yl)ethyl]ethanimidamide?
The canonical SMILES for N'-[1-(oxolan-2-yl)ethyl]ethanimidamide is C/C(N)=N\C(C)C1CCCO1.
What is the InChIKey of N'-[1-(oxolan-2-yl)ethyl]ethanimidamide?
The InChIKey is YXZWYHWUPRSMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-6(10-7(2)9)8-4-3-5-11-8/h6,8H,3-5H2,1-2H3,(H2,9,10).
What are the key properties of N'-[1-(oxolan-2-yl)ethyl]ethanimidamide?
N'-[1-(oxolan-2-yl)ethyl]ethanimidamide has a molecular weight of 156.23 g/mol, XLogP of 0.93, 2 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]ethanimidamide is sourced from PubChem (CID 63173399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).