2-amino-N-(2-bromoprop-2-enyl)-4-methylpentanamide

C9H17BrN2O — CID 102550600

IUPAC2-amino-N-(2-bromoprop-2-enyl)-4-methylpentanamide
SMILESC=C(Br)CNC(=O)C(N)CC(C)C
InChIInChI=1S/C9H17BrN2O/c1-6(2)4-8(11)9(13)12-5-7(3)10/h6,8H,3-5,11H2,1-2H3,(H,12,13)
InChIKeyALTSBWARWSABGK-UHFFFAOYSA-N
MW249.15 g/mol
LogP1.38
Rot. Bonds5

About 2-amino-N-(2-bromoprop-2-enyl)-4-methylpentanamide

2-amino-N-(2-bromoprop-2-enyl)-4-methylpentanamide (PubChem CID 102550600) has the molecular formula C9H17BrN2O and a molecular weight of 249.15 g/mol. Its IUPAC name is 2-amino-N-(2-bromoprop-2-enyl)-4-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-(2-bromoprop-2-enyl)-4-methylpentanamide
PubChem CID102550600
Molecular FormulaC9H17BrN2O
Molecular Weight249.15 g/mol
Exact Mass248.05
IUPAC Name2-amino-N-(2-bromoprop-2-enyl)-4-methylpentanamide
SMILESC=C(Br)CNC(=O)C(N)CC(C)C
InChIInChI=1S/C9H17BrN2O/c1-6(2)4-8(11)9(13)12-5-7(3)10/h6,8H,3-5,11H2,1-2H3,(H,12,13)
InChIKeyALTSBWARWSABGK-UHFFFAOYSA-N
XLogP1.38
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.15
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-bromoprop-2-enyl)-4-methylpentanamide?
The IUPAC name of 2-amino-N-(2-bromoprop-2-enyl)-4-methylpentanamide (CID 102550600) is 2-amino-N-(2-bromoprop-2-enyl)-4-methylpentanamide.
What is the SMILES notation for 2-amino-N-(2-bromoprop-2-enyl)-4-methylpentanamide?
The canonical SMILES for 2-amino-N-(2-bromoprop-2-enyl)-4-methylpentanamide is C=C(Br)CNC(=O)C(N)CC(C)C.
What is the InChIKey of 2-amino-N-(2-bromoprop-2-enyl)-4-methylpentanamide?
The InChIKey is ALTSBWARWSABGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17BrN2O/c1-6(2)4-8(11)9(13)12-5-7(3)10/h6,8H,3-5,11H2,1-2H3,(H,12,13).
What are the key properties of 2-amino-N-(2-bromoprop-2-enyl)-4-methylpentanamide?
2-amino-N-(2-bromoprop-2-enyl)-4-methylpentanamide has a molecular weight of 249.15 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-bromoprop-2-enyl)-4-methylpentanamide is sourced from PubChem (CID 102550600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).