2-amino-3-methyl-N-(4-methylpent-1-en-3-yl)but-3-enamide

C11H20N2O — CID 177367751

IUPAC2-amino-3-methyl-N-(4-methylpent-1-en-3-yl)but-3-enamide
SMILESC=CC(NC(=O)C(N)C(=C)C)C(C)C
InChIInChI=1S/C11H20N2O/c1-6-9(7(2)3)13-11(14)10(12)8(4)5/h6-7,9-10H,1,4,12H2,2-3,5H3,(H,13,14)
InChIKeyYRROAWVWNUCVGD-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.22
Rot. Bonds5

About 2-amino-3-methyl-N-(4-methylpent-1-en-3-yl)but-3-enamide

2-amino-3-methyl-N-(4-methylpent-1-en-3-yl)but-3-enamide (PubChem CID 177367751) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-amino-3-methyl-N-(4-methylpent-1-en-3-yl)but-3-enamide.

Molecular Properties

Compound Name2-amino-3-methyl-N-(4-methylpent-1-en-3-yl)but-3-enamide
PubChem CID177367751
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name2-amino-3-methyl-N-(4-methylpent-1-en-3-yl)but-3-enamide
SMILESC=CC(NC(=O)C(N)C(=C)C)C(C)C
InChIInChI=1S/C11H20N2O/c1-6-9(7(2)3)13-11(14)10(12)8(4)5/h6-7,9-10H,1,4,12H2,2-3,5H3,(H,13,14)
InChIKeyYRROAWVWNUCVGD-UHFFFAOYSA-N
XLogP1.22
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.22
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-3-methyl-N-(4-methylpent-1-en-3-yl)but-3-enamide?
The IUPAC name of 2-amino-3-methyl-N-(4-methylpent-1-en-3-yl)but-3-enamide (CID 177367751) is 2-amino-3-methyl-N-(4-methylpent-1-en-3-yl)but-3-enamide.
What is the SMILES notation for 2-amino-3-methyl-N-(4-methylpent-1-en-3-yl)but-3-enamide?
The canonical SMILES for 2-amino-3-methyl-N-(4-methylpent-1-en-3-yl)but-3-enamide is C=CC(NC(=O)C(N)C(=C)C)C(C)C.
What is the InChIKey of 2-amino-3-methyl-N-(4-methylpent-1-en-3-yl)but-3-enamide?
The InChIKey is YRROAWVWNUCVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-6-9(7(2)3)13-11(14)10(12)8(4)5/h6-7,9-10H,1,4,12H2,2-3,5H3,(H,13,14).
What are the key properties of 2-amino-3-methyl-N-(4-methylpent-1-en-3-yl)but-3-enamide?
2-amino-3-methyl-N-(4-methylpent-1-en-3-yl)but-3-enamide has a molecular weight of 196.29 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-(4-methylpent-1-en-3-yl)but-3-enamide is sourced from PubChem (CID 177367751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).