N-(2-bromoethyl)-3,4,4-trimethylpentanamide

C10H20BrNO — CID 63834001

IUPACN-(2-bromoethyl)-3,4,4-trimethylpentanamide
SMILESCC(CC(=O)NCCBr)C(C)(C)C
InChIInChI=1S/C10H20BrNO/c1-8(10(2,3)4)7-9(13)12-6-5-11/h8H,5-7H2,1-4H3,(H,12,13)
InChIKeyQAWVCEFYCWHVSD-UHFFFAOYSA-N
MW250.18 g/mol
LogP2.57
Rot. Bonds4

About N-(2-bromoethyl)-3,4,4-trimethylpentanamide

N-(2-bromoethyl)-3,4,4-trimethylpentanamide (PubChem CID 63834001) has the molecular formula C10H20BrNO and a molecular weight of 250.18 g/mol. Its IUPAC name is N-(2-bromoethyl)-3,4,4-trimethylpentanamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-3,4,4-trimethylpentanamide
PubChem CID63834001
Molecular FormulaC10H20BrNO
Molecular Weight250.18 g/mol
Exact Mass249.07
IUPAC NameN-(2-bromoethyl)-3,4,4-trimethylpentanamide
SMILESCC(CC(=O)NCCBr)C(C)(C)C
InChIInChI=1S/C10H20BrNO/c1-8(10(2,3)4)7-9(13)12-6-5-11/h8H,5-7H2,1-4H3,(H,12,13)
InChIKeyQAWVCEFYCWHVSD-UHFFFAOYSA-N
XLogP2.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.18
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 N-(2-bromoethyl)-3,4,4-trimethylpentanamide?
The IUPAC name of N-(2-bromoethyl)-3,4,4-trimethylpentanamide (CID 63834001) is N-(2-bromoethyl)-3,4,4-trimethylpentanamide.
What is the SMILES notation for N-(2-bromoethyl)-3,4,4-trimethylpentanamide?
The canonical SMILES for N-(2-bromoethyl)-3,4,4-trimethylpentanamide is CC(CC(=O)NCCBr)C(C)(C)C.
What is the InChIKey of N-(2-bromoethyl)-3,4,4-trimethylpentanamide?
The InChIKey is QAWVCEFYCWHVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20BrNO/c1-8(10(2,3)4)7-9(13)12-6-5-11/h8H,5-7H2,1-4H3,(H,12,13).
What are the key properties of N-(2-bromoethyl)-3,4,4-trimethylpentanamide?
N-(2-bromoethyl)-3,4,4-trimethylpentanamide has a molecular weight of 250.18 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-3,4,4-trimethylpentanamide is sourced from PubChem (CID 63834001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).