2-[di(propan-2-yl)amino]-N'-hydroxyethanimidamide

C8H19N3O — CID 77044960

IUPAC2-[di(propan-2-yl)amino]-N'-hydroxyethanimidamide
SMILESCC(C)N(CC(N)=NO)C(C)C
InChIInChI=1S/C8H19N3O/c1-6(2)11(7(3)4)5-8(9)10-12/h6-7,12H,5H2,1-4H3,(H2,9,10)
InChIKeyVNGRZCMHFKCKSN-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.85
Rot. Bonds4

About 2-[di(propan-2-yl)amino]-N'-hydroxyethanimidamide

2-[di(propan-2-yl)amino]-N'-hydroxyethanimidamide (PubChem CID 77044960) has the molecular formula C8H19N3O and a molecular weight of 173.26 g/mol. Its IUPAC name is 2-[di(propan-2-yl)amino]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[di(propan-2-yl)amino]-N'-hydroxyethanimidamide
PubChem CID77044960
Molecular FormulaC8H19N3O
Molecular Weight173.26 g/mol
Exact Mass173.15
IUPAC Name2-[di(propan-2-yl)amino]-N'-hydroxyethanimidamide
SMILESCC(C)N(CC(N)=NO)C(C)C
InChIInChI=1S/C8H19N3O/c1-6(2)11(7(3)4)5-8(9)10-12/h6-7,12H,5H2,1-4H3,(H2,9,10)
InChIKeyVNGRZCMHFKCKSN-UHFFFAOYSA-N
XLogP0.85
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[di(propan-2-yl)amino]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[di(propan-2-yl)amino]-N'-hydroxyethanimidamide (CID 77044960) is 2-[di(propan-2-yl)amino]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[di(propan-2-yl)amino]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[di(propan-2-yl)amino]-N'-hydroxyethanimidamide is CC(C)N(CC(N)=NO)C(C)C.
What is the InChIKey of 2-[di(propan-2-yl)amino]-N'-hydroxyethanimidamide?
The InChIKey is VNGRZCMHFKCKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O/c1-6(2)11(7(3)4)5-8(9)10-12/h6-7,12H,5H2,1-4H3,(H2,9,10).
What are the key properties of 2-[di(propan-2-yl)amino]-N'-hydroxyethanimidamide?
2-[di(propan-2-yl)amino]-N'-hydroxyethanimidamide has a molecular weight of 173.26 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[di(propan-2-yl)amino]-N'-hydroxyethanimidamide is sourced from PubChem (CID 77044960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).