N-(1-bromopropan-2-yl)-N,2,3-trimethylbutanamide

C10H20BrNO — CID 104555972

IUPACN-(1-bromopropan-2-yl)-N,2,3-trimethylbutanamide
SMILESCC(C)C(C)C(=O)N(C)C(C)CBr
InChIInChI=1S/C10H20BrNO/c1-7(2)9(4)10(13)12(5)8(3)6-11/h7-9H,6H2,1-5H3
InChIKeyYVABQRJMDIBFAF-UHFFFAOYSA-N
MW250.18 g/mol
LogP2.52
Rot. Bonds4

About N-(1-bromopropan-2-yl)-N,2,3-trimethylbutanamide

N-(1-bromopropan-2-yl)-N,2,3-trimethylbutanamide (PubChem CID 104555972) has the molecular formula C10H20BrNO and a molecular weight of 250.18 g/mol. Its IUPAC name is N-(1-bromopropan-2-yl)-N,2,3-trimethylbutanamide.

Molecular Properties

Compound NameN-(1-bromopropan-2-yl)-N,2,3-trimethylbutanamide
PubChem CID104555972
Molecular FormulaC10H20BrNO
Molecular Weight250.18 g/mol
Exact Mass249.07
IUPAC NameN-(1-bromopropan-2-yl)-N,2,3-trimethylbutanamide
SMILESCC(C)C(C)C(=O)N(C)C(C)CBr
InChIInChI=1S/C10H20BrNO/c1-7(2)9(4)10(13)12(5)8(3)6-11/h7-9H,6H2,1-5H3
InChIKeyYVABQRJMDIBFAF-UHFFFAOYSA-N
XLogP2.52
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.18
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(1-bromopropan-2-yl)-N,2,3-trimethylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-bromopropan-2-yl)-N,2,3-trimethylbutanamide?
The IUPAC name of N-(1-bromopropan-2-yl)-N,2,3-trimethylbutanamide (CID 104555972) is N-(1-bromopropan-2-yl)-N,2,3-trimethylbutanamide.
What is the SMILES notation for N-(1-bromopropan-2-yl)-N,2,3-trimethylbutanamide?
The canonical SMILES for N-(1-bromopropan-2-yl)-N,2,3-trimethylbutanamide is CC(C)C(C)C(=O)N(C)C(C)CBr.
What is the InChIKey of N-(1-bromopropan-2-yl)-N,2,3-trimethylbutanamide?
The InChIKey is YVABQRJMDIBFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20BrNO/c1-7(2)9(4)10(13)12(5)8(3)6-11/h7-9H,6H2,1-5H3.
What are the key properties of N-(1-bromopropan-2-yl)-N,2,3-trimethylbutanamide?
N-(1-bromopropan-2-yl)-N,2,3-trimethylbutanamide has a molecular weight of 250.18 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromopropan-2-yl)-N,2,3-trimethylbutanamide is sourced from PubChem (CID 104555972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).