4-butan-2-yloxy-2,2-dimethylbutanimidamide

C10H22N2O — CID 65251398

IUPAC4-butan-2-yloxy-2,2-dimethylbutanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCOC(C)CC
InChIInChI=1S/C10H22N2O/c1-5-8(2)13-7-6-10(3,4)9(11)12/h8H,5-7H2,1-4H3,(H3,11,12)
InChIKeyCBCAEXTVKNDMSY-UHFFFAOYSA-N
MW186.30 g/mol
LogP2.15
Rot. Bonds6

About 4-butan-2-yloxy-2,2-dimethylbutanimidamide

4-butan-2-yloxy-2,2-dimethylbutanimidamide (PubChem CID 65251398) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 4-butan-2-yloxy-2,2-dimethylbutanimidamide.

Molecular Properties

Compound Name4-butan-2-yloxy-2,2-dimethylbutanimidamide
PubChem CID65251398
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name4-butan-2-yloxy-2,2-dimethylbutanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCOC(C)CC
InChIInChI=1S/C10H22N2O/c1-5-8(2)13-7-6-10(3,4)9(11)12/h8H,5-7H2,1-4H3,(H3,11,12)
InChIKeyCBCAEXTVKNDMSY-UHFFFAOYSA-N
XLogP2.15
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 52.15
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yloxy-2,2-dimethylbutanimidamide?
The IUPAC name of 4-butan-2-yloxy-2,2-dimethylbutanimidamide (CID 65251398) is 4-butan-2-yloxy-2,2-dimethylbutanimidamide.
What is the SMILES notation for 4-butan-2-yloxy-2,2-dimethylbutanimidamide?
The canonical SMILES for 4-butan-2-yloxy-2,2-dimethylbutanimidamide is [H]/N=C(\N)C(C)(C)CCOC(C)CC.
What is the InChIKey of 4-butan-2-yloxy-2,2-dimethylbutanimidamide?
The InChIKey is CBCAEXTVKNDMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-5-8(2)13-7-6-10(3,4)9(11)12/h8H,5-7H2,1-4H3,(H3,11,12).
What are the key properties of 4-butan-2-yloxy-2,2-dimethylbutanimidamide?
4-butan-2-yloxy-2,2-dimethylbutanimidamide has a molecular weight of 186.30 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yloxy-2,2-dimethylbutanimidamide is sourced from PubChem (CID 65251398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).