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

C9H21N3O — CID 65252068

IUPAC4-[2-hydroxyethyl(methyl)amino]-2,2-dimethylbutanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCN(C)CCO
InChIInChI=1S/C9H21N3O/c1-9(2,8(10)11)4-5-12(3)6-7-13/h13H,4-7H2,1-3H3,(H3,10,11)
InChIKeyKEMULNKAVXAQSO-UHFFFAOYSA-N
MW187.29 g/mol
LogP0.26
Rot. Bonds6

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

4-[2-hydroxyethyl(methyl)amino]-2,2-dimethylbutanimidamide (PubChem CID 65252068) has the molecular formula C9H21N3O and a molecular weight of 187.29 g/mol. Its IUPAC name is 4-[2-hydroxyethyl(methyl)amino]-2,2-dimethylbutanimidamide.

Molecular Properties

Compound Name4-[2-hydroxyethyl(methyl)amino]-2,2-dimethylbutanimidamide
PubChem CID65252068
Molecular FormulaC9H21N3O
Molecular Weight187.29 g/mol
Exact Mass187.17
IUPAC Name4-[2-hydroxyethyl(methyl)amino]-2,2-dimethylbutanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCN(C)CCO
InChIInChI=1S/C9H21N3O/c1-9(2,8(10)11)4-5-12(3)6-7-13/h13H,4-7H2,1-3H3,(H3,10,11)
InChIKeyKEMULNKAVXAQSO-UHFFFAOYSA-N
XLogP0.26
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 50.26
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(methyl)amino]-2,2-dimethylbutanimidamide?
The IUPAC name of 4-[2-hydroxyethyl(methyl)amino]-2,2-dimethylbutanimidamide (CID 65252068) is 4-[2-hydroxyethyl(methyl)amino]-2,2-dimethylbutanimidamide.
What is the SMILES notation for 4-[2-hydroxyethyl(methyl)amino]-2,2-dimethylbutanimidamide?
The canonical SMILES for 4-[2-hydroxyethyl(methyl)amino]-2,2-dimethylbutanimidamide is [H]/N=C(\N)C(C)(C)CCN(C)CCO.
What is the InChIKey of 4-[2-hydroxyethyl(methyl)amino]-2,2-dimethylbutanimidamide?
The InChIKey is KEMULNKAVXAQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O/c1-9(2,8(10)11)4-5-12(3)6-7-13/h13H,4-7H2,1-3H3,(H3,10,11).
What are the key properties of 4-[2-hydroxyethyl(methyl)amino]-2,2-dimethylbutanimidamide?
4-[2-hydroxyethyl(methyl)amino]-2,2-dimethylbutanimidamide has a molecular weight of 187.29 g/mol, XLogP of 0.26, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-hydroxyethyl(methyl)amino]-2,2-dimethylbutanimidamide is sourced from PubChem (CID 65252068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).