2-amino-N-(1-cyclopropylethyl)-3,3-dimethylbutanamide

C11H22N2O — CID 76893105

IUPAC2-amino-N-(1-cyclopropylethyl)-3,3-dimethylbutanamide
SMILESCC(NC(=O)C(N)C(C)(C)C)C1CC1
InChIInChI=1S/C11H22N2O/c1-7(8-5-6-8)13-10(14)9(12)11(2,3)4/h7-9H,5-6,12H2,1-4H3,(H,13,14)
InChIKeyFQSJWIUMBZYYQA-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.27
Rot. Bonds3

About 2-amino-N-(1-cyclopropylethyl)-3,3-dimethylbutanamide

2-amino-N-(1-cyclopropylethyl)-3,3-dimethylbutanamide (PubChem CID 76893105) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-amino-N-(1-cyclopropylethyl)-3,3-dimethylbutanamide.

Molecular Properties

Compound Name2-amino-N-(1-cyclopropylethyl)-3,3-dimethylbutanamide
PubChem CID76893105
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name2-amino-N-(1-cyclopropylethyl)-3,3-dimethylbutanamide
SMILESCC(NC(=O)C(N)C(C)(C)C)C1CC1
InChIInChI=1S/C11H22N2O/c1-7(8-5-6-8)13-10(14)9(12)11(2,3)4/h7-9H,5-6,12H2,1-4H3,(H,13,14)
InChIKeyFQSJWIUMBZYYQA-UHFFFAOYSA-N
XLogP1.27
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-cyclopropylethyl)-3,3-dimethylbutanamide?
The IUPAC name of 2-amino-N-(1-cyclopropylethyl)-3,3-dimethylbutanamide (CID 76893105) is 2-amino-N-(1-cyclopropylethyl)-3,3-dimethylbutanamide.
What is the SMILES notation for 2-amino-N-(1-cyclopropylethyl)-3,3-dimethylbutanamide?
The canonical SMILES for 2-amino-N-(1-cyclopropylethyl)-3,3-dimethylbutanamide is CC(NC(=O)C(N)C(C)(C)C)C1CC1.
What is the InChIKey of 2-amino-N-(1-cyclopropylethyl)-3,3-dimethylbutanamide?
The InChIKey is FQSJWIUMBZYYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-7(8-5-6-8)13-10(14)9(12)11(2,3)4/h7-9H,5-6,12H2,1-4H3,(H,13,14).
What are the key properties of 2-amino-N-(1-cyclopropylethyl)-3,3-dimethylbutanamide?
2-amino-N-(1-cyclopropylethyl)-3,3-dimethylbutanamide has a molecular weight of 198.31 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-cyclopropylethyl)-3,3-dimethylbutanamide is sourced from PubChem (CID 76893105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).