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

C10H20N2O — CID 63177994

IUPACN'-[2-(oxolan-2-yl)ethyl]butanimidamide
SMILESCCC/C(N)=N\CCC1CCCO1
InChIInChI=1S/C10H20N2O/c1-2-4-10(11)12-7-6-9-5-3-8-13-9/h9H,2-8H2,1H3,(H2,11,12)
InChIKeyHUDWBXCHJLUTFF-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.71
Rot. Bonds5

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

N'-[2-(oxolan-2-yl)ethyl]butanimidamide (PubChem CID 63177994) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is N'-[2-(oxolan-2-yl)ethyl]butanimidamide.

Molecular Properties

Compound NameN'-[2-(oxolan-2-yl)ethyl]butanimidamide
PubChem CID63177994
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC NameN'-[2-(oxolan-2-yl)ethyl]butanimidamide
SMILESCCC/C(N)=N\CCC1CCCO1
InChIInChI=1S/C10H20N2O/c1-2-4-10(11)12-7-6-9-5-3-8-13-9/h9H,2-8H2,1H3,(H2,11,12)
InChIKeyHUDWBXCHJLUTFF-UHFFFAOYSA-N
XLogP1.71
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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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Related Compounds

N'-[2-(oxan-2-yl)ethyl]cyclopentanecarboximidamide
CID 106000913
2-octyl-1-[2-(oxolan-2-yl)ethyl]guanidine
CID 111041837
1-tert-butyl-2-[2-(oxan-2-yl)ethyl]guanidine;hydroiodide
CID 110018771
3-[ethyl-[2-(oxolan-2-yl)ethyl]amino]-N'-hydroxypropanimidamide
CID 77057992
1,1,3,3-tetramethyl-2-[2-(oxan-2-yl)ethyl]guanidine;hydroiodide
CID 110018747
N'-[2-(oxan-2-yl)ethyl]azepane-1-carboximidamide;hydroiodide
CID 110018672
N'-hydroxy-2-[3-(oxolan-2-yl)propyl-propylamino]ethanimidamide
CID 77057915
2-tetradecyloxolane
CID 10683364
N'-[2-(oxan-2-yl)ethyl]morpholine-4-carboximidamide;hydroiodide
CID 110018757
1-tert-butyl-3-ethyl-2-[2-(oxolan-2-yl)ethyl]guanidine
CID 110966472
5-(oxolan-2-yl)pentanamide
CID 67128385
2-[3-(oxolan-2-yl)propyl]guanidine;sulfuric acid
CID 21128698

Frequently Asked Questions

What is the IUPAC name of N'-[2-(oxolan-2-yl)ethyl]butanimidamide?
The IUPAC name of N'-[2-(oxolan-2-yl)ethyl]butanimidamide (CID 63177994) is N'-[2-(oxolan-2-yl)ethyl]butanimidamide.
What is the SMILES notation for N'-[2-(oxolan-2-yl)ethyl]butanimidamide?
The canonical SMILES for N'-[2-(oxolan-2-yl)ethyl]butanimidamide is CCC/C(N)=N\CCC1CCCO1.
What is the InChIKey of N'-[2-(oxolan-2-yl)ethyl]butanimidamide?
The InChIKey is HUDWBXCHJLUTFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-2-4-10(11)12-7-6-9-5-3-8-13-9/h9H,2-8H2,1H3,(H2,11,12).
What are the key properties of N'-[2-(oxolan-2-yl)ethyl]butanimidamide?
N'-[2-(oxolan-2-yl)ethyl]butanimidamide has a molecular weight of 184.28 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(oxolan-2-yl)ethyl]butanimidamide is sourced from PubChem (CID 63177994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).