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

C10H20N2O — CID 63175723

IUPACN'-[1-(oxolan-2-yl)ethyl]butanimidamide
SMILESCCC/C(N)=N\C(C)C1CCCO1
InChIInChI=1S/C10H20N2O/c1-3-5-10(11)12-8(2)9-6-4-7-13-9/h8-9H,3-7H2,1-2H3,(H2,11,12)
InChIKeyBMEZBGVHPIGLCD-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.71
Rot. Bonds4

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

N'-[1-(oxolan-2-yl)ethyl]butanimidamide (PubChem CID 63175723) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is N'-[1-(oxolan-2-yl)ethyl]butanimidamide.

Molecular Properties

Compound NameN'-[1-(oxolan-2-yl)ethyl]butanimidamide
PubChem CID63175723
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC NameN'-[1-(oxolan-2-yl)ethyl]butanimidamide
SMILESCCC/C(N)=N\C(C)C1CCCO1
InChIInChI=1S/C10H20N2O/c1-3-5-10(11)12-8(2)9-6-4-7-13-9/h8-9H,3-7H2,1-2H3,(H2,11,12)
InChIKeyBMEZBGVHPIGLCD-UHFFFAOYSA-N
XLogP1.71
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.71
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]butanimidamide?
The IUPAC name of N'-[1-(oxolan-2-yl)ethyl]butanimidamide (CID 63175723) is N'-[1-(oxolan-2-yl)ethyl]butanimidamide.
What is the SMILES notation for N'-[1-(oxolan-2-yl)ethyl]butanimidamide?
The canonical SMILES for N'-[1-(oxolan-2-yl)ethyl]butanimidamide is CCC/C(N)=N\C(C)C1CCCO1.
What is the InChIKey of N'-[1-(oxolan-2-yl)ethyl]butanimidamide?
The InChIKey is BMEZBGVHPIGLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-3-5-10(11)12-8(2)9-6-4-7-13-9/h8-9H,3-7H2,1-2H3,(H2,11,12).
What are the key properties of N'-[1-(oxolan-2-yl)ethyl]butanimidamide?
N'-[1-(oxolan-2-yl)ethyl]butanimidamide has a molecular weight of 184.28 g/mol, XLogP of 1.71, 4 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]butanimidamide is sourced from PubChem (CID 63175723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).