2-amino-N-(3,3-dimethylbutyl)pent-4-enamide

C11H22N2O — CID 112704204

IUPAC2-amino-N-(3,3-dimethylbutyl)pent-4-enamide
SMILESC=CCC(N)C(=O)NCCC(C)(C)C
InChIInChI=1S/C11H22N2O/c1-5-6-9(12)10(14)13-8-7-11(2,3)4/h5,9H,1,6-8,12H2,2-4H3,(H,13,14)
InChIKeyQPUKSJGAKOMERA-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.44
Rot. Bonds5

About 2-amino-N-(3,3-dimethylbutyl)pent-4-enamide

2-amino-N-(3,3-dimethylbutyl)pent-4-enamide (PubChem CID 112704204) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-amino-N-(3,3-dimethylbutyl)pent-4-enamide.

Molecular Properties

Compound Name2-amino-N-(3,3-dimethylbutyl)pent-4-enamide
PubChem CID112704204
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name2-amino-N-(3,3-dimethylbutyl)pent-4-enamide
SMILESC=CCC(N)C(=O)NCCC(C)(C)C
InChIInChI=1S/C11H22N2O/c1-5-6-9(12)10(14)13-8-7-11(2,3)4/h5,9H,1,6-8,12H2,2-4H3,(H,13,14)
InChIKeyQPUKSJGAKOMERA-UHFFFAOYSA-N
XLogP1.44
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3,3-dimethylbutyl)pent-4-enamide?
The IUPAC name of 2-amino-N-(3,3-dimethylbutyl)pent-4-enamide (CID 112704204) is 2-amino-N-(3,3-dimethylbutyl)pent-4-enamide.
What is the SMILES notation for 2-amino-N-(3,3-dimethylbutyl)pent-4-enamide?
The canonical SMILES for 2-amino-N-(3,3-dimethylbutyl)pent-4-enamide is C=CCC(N)C(=O)NCCC(C)(C)C.
What is the InChIKey of 2-amino-N-(3,3-dimethylbutyl)pent-4-enamide?
The InChIKey is QPUKSJGAKOMERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-5-6-9(12)10(14)13-8-7-11(2,3)4/h5,9H,1,6-8,12H2,2-4H3,(H,13,14).
What are the key properties of 2-amino-N-(3,3-dimethylbutyl)pent-4-enamide?
2-amino-N-(3,3-dimethylbutyl)pent-4-enamide has a molecular weight of 198.31 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3,3-dimethylbutyl)pent-4-enamide is sourced from PubChem (CID 112704204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).