4-[2-hydroxyethyl(propan-2-yl)amino]-2,2-dimethylbutanimidamide

C11H25N3O — CID 65252390

IUPAC4-[2-hydroxyethyl(propan-2-yl)amino]-2,2-dimethylbutanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCN(CCO)C(C)C
InChIInChI=1S/C11H25N3O/c1-9(2)14(7-8-15)6-5-11(3,4)10(12)13/h9,15H,5-8H2,1-4H3,(H3,12,13)
InChIKeyXTAZLFKDOUCXHB-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.04
Rot. Bonds7

About 4-[2-hydroxyethyl(propan-2-yl)amino]-2,2-dimethylbutanimidamide

4-[2-hydroxyethyl(propan-2-yl)amino]-2,2-dimethylbutanimidamide (PubChem CID 65252390) has the molecular formula C11H25N3O and a molecular weight of 215.34 g/mol. Its IUPAC name is 4-[2-hydroxyethyl(propan-2-yl)amino]-2,2-dimethylbutanimidamide.

Molecular Properties

Compound Name4-[2-hydroxyethyl(propan-2-yl)amino]-2,2-dimethylbutanimidamide
PubChem CID65252390
Molecular FormulaC11H25N3O
Molecular Weight215.34 g/mol
Exact Mass215.20
IUPAC Name4-[2-hydroxyethyl(propan-2-yl)amino]-2,2-dimethylbutanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCN(CCO)C(C)C
InChIInChI=1S/C11H25N3O/c1-9(2)14(7-8-15)6-5-11(3,4)10(12)13/h9,15H,5-8H2,1-4H3,(H3,12,13)
InChIKeyXTAZLFKDOUCXHB-UHFFFAOYSA-N
XLogP1.04
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-[2-hydroxyethyl(propan-2-yl)amino]-2,2-dimethylbutanimidamide?
The IUPAC name of 4-[2-hydroxyethyl(propan-2-yl)amino]-2,2-dimethylbutanimidamide (CID 65252390) is 4-[2-hydroxyethyl(propan-2-yl)amino]-2,2-dimethylbutanimidamide.
What is the SMILES notation for 4-[2-hydroxyethyl(propan-2-yl)amino]-2,2-dimethylbutanimidamide?
The canonical SMILES for 4-[2-hydroxyethyl(propan-2-yl)amino]-2,2-dimethylbutanimidamide is [H]/N=C(\N)C(C)(C)CCN(CCO)C(C)C.
What is the InChIKey of 4-[2-hydroxyethyl(propan-2-yl)amino]-2,2-dimethylbutanimidamide?
The InChIKey is XTAZLFKDOUCXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O/c1-9(2)14(7-8-15)6-5-11(3,4)10(12)13/h9,15H,5-8H2,1-4H3,(H3,12,13).
What are the key properties of 4-[2-hydroxyethyl(propan-2-yl)amino]-2,2-dimethylbutanimidamide?
4-[2-hydroxyethyl(propan-2-yl)amino]-2,2-dimethylbutanimidamide has a molecular weight of 215.34 g/mol, XLogP of 1.04, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-hydroxyethyl(propan-2-yl)amino]-2,2-dimethylbutanimidamide is sourced from PubChem (CID 65252390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).