2-amino-N-[(2-bromo-1-methylcyclopropyl)methyl]-2-methylpropanamide

C9H17BrN2O — CID 155953023

IUPAC2-amino-N-[(2-bromo-1-methylcyclopropyl)methyl]-2-methylpropanamide
SMILESCC(C)(N)C(=O)NCC1(C)CC1Br
InChIInChI=1S/C9H17BrN2O/c1-8(2,11)7(13)12-5-9(3)4-6(9)10/h6H,4-5,11H2,1-3H3,(H,12,13)
InChIKeyLAFWRMWYZJTWDZ-UHFFFAOYSA-N
MW249.15 g/mol
LogP1.01
Rot. Bonds3

About 2-amino-N-[(2-bromo-1-methylcyclopropyl)methyl]-2-methylpropanamide

2-amino-N-[(2-bromo-1-methylcyclopropyl)methyl]-2-methylpropanamide (PubChem CID 155953023) has the molecular formula C9H17BrN2O and a molecular weight of 249.15 g/mol. Its IUPAC name is 2-amino-N-[(2-bromo-1-methylcyclopropyl)methyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-[(2-bromo-1-methylcyclopropyl)methyl]-2-methylpropanamide
PubChem CID155953023
Molecular FormulaC9H17BrN2O
Molecular Weight249.15 g/mol
Exact Mass248.05
IUPAC Name2-amino-N-[(2-bromo-1-methylcyclopropyl)methyl]-2-methylpropanamide
SMILESCC(C)(N)C(=O)NCC1(C)CC1Br
InChIInChI=1S/C9H17BrN2O/c1-8(2,11)7(13)12-5-9(3)4-6(9)10/h6H,4-5,11H2,1-3H3,(H,12,13)
InChIKeyLAFWRMWYZJTWDZ-UHFFFAOYSA-N
XLogP1.01
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.15
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2-bromo-1-methylcyclopropyl)methyl]-2-methylpropanamide?
The IUPAC name of 2-amino-N-[(2-bromo-1-methylcyclopropyl)methyl]-2-methylpropanamide (CID 155953023) is 2-amino-N-[(2-bromo-1-methylcyclopropyl)methyl]-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-[(2-bromo-1-methylcyclopropyl)methyl]-2-methylpropanamide?
The canonical SMILES for 2-amino-N-[(2-bromo-1-methylcyclopropyl)methyl]-2-methylpropanamide is CC(C)(N)C(=O)NCC1(C)CC1Br.
What is the InChIKey of 2-amino-N-[(2-bromo-1-methylcyclopropyl)methyl]-2-methylpropanamide?
The InChIKey is LAFWRMWYZJTWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17BrN2O/c1-8(2,11)7(13)12-5-9(3)4-6(9)10/h6H,4-5,11H2,1-3H3,(H,12,13).
What are the key properties of 2-amino-N-[(2-bromo-1-methylcyclopropyl)methyl]-2-methylpropanamide?
2-amino-N-[(2-bromo-1-methylcyclopropyl)methyl]-2-methylpropanamide has a molecular weight of 249.15 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2-bromo-1-methylcyclopropyl)methyl]-2-methylpropanamide is sourced from PubChem (CID 155953023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).