2-butan-2-yloxyethanimidamide

C6H14N2O — CID 60902733

IUPAC2-butan-2-yloxyethanimidamide
SMILES[H]/N=C(\N)COC(C)CC
InChIInChI=1S/C6H14N2O/c1-3-5(2)9-4-6(7)8/h5H,3-4H2,1-2H3,(H3,7,8)
InChIKeyPPKPSZLRQWINGY-UHFFFAOYSA-N
MW130.19 g/mol
LogP0.74
Rot. Bonds4

About 2-butan-2-yloxyethanimidamide

2-butan-2-yloxyethanimidamide (PubChem CID 60902733) has the molecular formula C6H14N2O and a molecular weight of 130.19 g/mol. Its IUPAC name is 2-butan-2-yloxyethanimidamide.

Molecular Properties

Compound Name2-butan-2-yloxyethanimidamide
PubChem CID60902733
Molecular FormulaC6H14N2O
Molecular Weight130.19 g/mol
Exact Mass130.11
IUPAC Name2-butan-2-yloxyethanimidamide
SMILES[H]/N=C(\N)COC(C)CC
InChIInChI=1S/C6H14N2O/c1-3-5(2)9-4-6(7)8/h5H,3-4H2,1-2H3,(H3,7,8)
InChIKeyPPKPSZLRQWINGY-UHFFFAOYSA-N
XLogP0.74
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-butan-2-yloxyethanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-ethoxypropan-2-yloxy)ethanimidamide
CID 103488671
2-[1-(butan-2-yloxymethyl)cyclopropyl]ethanimidamide
CID 65494219
2-butan-2-yloxy-N'-hydroxyethanimidamide
CID 76883223
2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethanimidamide
CID 102722346
4-butan-2-ylsulfanylbutanimidamide
CID 43188607
4-propoxypentanimidamide
CID 158121909
3-(2-butoxyethoxy)butanimidamide
CID 114995138
6-butan-2-yloxy-2,2-dimethylhexanimidamide
CID 106712397
2-[(2R)-butan-2-yl]oxyacetic acid
CID 92979817
2-(2-ethoxyethoxy)ethanimidamide
CID 24707447
3-aminopentanimidamide
CID 79498775
methanamine;propanimidamide
CID 158653796

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yloxyethanimidamide?
The IUPAC name of 2-butan-2-yloxyethanimidamide (CID 60902733) is 2-butan-2-yloxyethanimidamide.
What is the SMILES notation for 2-butan-2-yloxyethanimidamide?
The canonical SMILES for 2-butan-2-yloxyethanimidamide is [H]/N=C(\N)COC(C)CC.
What is the InChIKey of 2-butan-2-yloxyethanimidamide?
The InChIKey is PPKPSZLRQWINGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O/c1-3-5(2)9-4-6(7)8/h5H,3-4H2,1-2H3,(H3,7,8).
What are the key properties of 2-butan-2-yloxyethanimidamide?
2-butan-2-yloxyethanimidamide has a molecular weight of 130.19 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yloxyethanimidamide is sourced from PubChem (CID 60902733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).