4-[butyl(2-hydroxyethyl)amino]-2,2-dimethylbutanimidamide

C12H27N3O — CID 65252593

IUPAC4-[butyl(2-hydroxyethyl)amino]-2,2-dimethylbutanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCN(CCO)CCCC
InChIInChI=1S/C12H27N3O/c1-4-5-7-15(9-10-16)8-6-12(2,3)11(13)14/h16H,4-10H2,1-3H3,(H3,13,14)
InChIKeyHDWCJGXQBFYDRT-UHFFFAOYSA-N
MW229.37 g/mol
LogP1.43
Rot. Bonds9

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

4-[butyl(2-hydroxyethyl)amino]-2,2-dimethylbutanimidamide (PubChem CID 65252593) has the molecular formula C12H27N3O and a molecular weight of 229.37 g/mol. Its IUPAC name is 4-[butyl(2-hydroxyethyl)amino]-2,2-dimethylbutanimidamide.

Molecular Properties

Compound Name4-[butyl(2-hydroxyethyl)amino]-2,2-dimethylbutanimidamide
PubChem CID65252593
Molecular FormulaC12H27N3O
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC Name4-[butyl(2-hydroxyethyl)amino]-2,2-dimethylbutanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCN(CCO)CCCC
InChIInChI=1S/C12H27N3O/c1-4-5-7-15(9-10-16)8-6-12(2,3)11(13)14/h16H,4-10H2,1-3H3,(H3,13,14)
InChIKeyHDWCJGXQBFYDRT-UHFFFAOYSA-N
XLogP1.43
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 51.43
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-[butyl(2-hydroxyethyl)amino]-2,2-dimethylbutanimidamide?
The IUPAC name of 4-[butyl(2-hydroxyethyl)amino]-2,2-dimethylbutanimidamide (CID 65252593) is 4-[butyl(2-hydroxyethyl)amino]-2,2-dimethylbutanimidamide.
What is the SMILES notation for 4-[butyl(2-hydroxyethyl)amino]-2,2-dimethylbutanimidamide?
The canonical SMILES for 4-[butyl(2-hydroxyethyl)amino]-2,2-dimethylbutanimidamide is [H]/N=C(\N)C(C)(C)CCN(CCO)CCCC.
What is the InChIKey of 4-[butyl(2-hydroxyethyl)amino]-2,2-dimethylbutanimidamide?
The InChIKey is HDWCJGXQBFYDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O/c1-4-5-7-15(9-10-16)8-6-12(2,3)11(13)14/h16H,4-10H2,1-3H3,(H3,13,14).
What are the key properties of 4-[butyl(2-hydroxyethyl)amino]-2,2-dimethylbutanimidamide?
4-[butyl(2-hydroxyethyl)amino]-2,2-dimethylbutanimidamide has a molecular weight of 229.37 g/mol, XLogP of 1.43, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[butyl(2-hydroxyethyl)amino]-2,2-dimethylbutanimidamide is sourced from PubChem (CID 65252593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).