2-amino-N-(2-hydroxyethyl)-N,3-dimethylbutanamide

C8H18N2O2 — CID 56831844

IUPAC2-amino-N-(2-hydroxyethyl)-N,3-dimethylbutanamide
SMILESCC(C)C(N)C(=O)N(C)CCO
InChIInChI=1S/C8H18N2O2/c1-6(2)7(9)8(12)10(3)4-5-11/h6-7,11H,4-5,9H2,1-3H3
InChIKeyMOTBSQAIEQOAHR-UHFFFAOYSA-N
MW174.24 g/mol
LogP-0.58
Rot. Bonds4

About 2-amino-N-(2-hydroxyethyl)-N,3-dimethylbutanamide

2-amino-N-(2-hydroxyethyl)-N,3-dimethylbutanamide (PubChem CID 56831844) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is 2-amino-N-(2-hydroxyethyl)-N,3-dimethylbutanamide.

Molecular Properties

Compound Name2-amino-N-(2-hydroxyethyl)-N,3-dimethylbutanamide
PubChem CID56831844
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Name2-amino-N-(2-hydroxyethyl)-N,3-dimethylbutanamide
SMILESCC(C)C(N)C(=O)N(C)CCO
InChIInChI=1S/C8H18N2O2/c1-6(2)7(9)8(12)10(3)4-5-11/h6-7,11H,4-5,9H2,1-3H3
InChIKeyMOTBSQAIEQOAHR-UHFFFAOYSA-N
XLogP-0.58
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-hydroxyethyl)-N,3-dimethylbutanamide?
The IUPAC name of 2-amino-N-(2-hydroxyethyl)-N,3-dimethylbutanamide (CID 56831844) is 2-amino-N-(2-hydroxyethyl)-N,3-dimethylbutanamide.
What is the SMILES notation for 2-amino-N-(2-hydroxyethyl)-N,3-dimethylbutanamide?
The canonical SMILES for 2-amino-N-(2-hydroxyethyl)-N,3-dimethylbutanamide is CC(C)C(N)C(=O)N(C)CCO.
What is the InChIKey of 2-amino-N-(2-hydroxyethyl)-N,3-dimethylbutanamide?
The InChIKey is MOTBSQAIEQOAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-6(2)7(9)8(12)10(3)4-5-11/h6-7,11H,4-5,9H2,1-3H3.
What are the key properties of 2-amino-N-(2-hydroxyethyl)-N,3-dimethylbutanamide?
2-amino-N-(2-hydroxyethyl)-N,3-dimethylbutanamide has a molecular weight of 174.24 g/mol, XLogP of -0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-hydroxyethyl)-N,3-dimethylbutanamide is sourced from PubChem (CID 56831844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).