6-bromo-N,N-diethylhexanamide

C10H20BrNO — CID 10658295

IUPAC6-bromo-N,N-diethylhexanamide
SMILESCCN(CC)C(=O)CCCCCBr
InChIInChI=1S/C10H20BrNO/c1-3-12(4-2)10(13)8-6-5-7-9-11/h3-9H2,1-2H3
InChIKeyHHKKDNPOOYXWOO-UHFFFAOYSA-N
MW250.18 g/mol
LogP2.81
Rot. Bonds7

About 6-bromo-N,N-diethylhexanamide

6-bromo-N,N-diethylhexanamide (PubChem CID 10658295) has the molecular formula C10H20BrNO and a molecular weight of 250.18 g/mol. Its IUPAC name is 6-bromo-N,N-diethylhexanamide.

Molecular Properties

Compound Name6-bromo-N,N-diethylhexanamide
PubChem CID10658295
Molecular FormulaC10H20BrNO
Molecular Weight250.18 g/mol
Exact Mass249.07
IUPAC Name6-bromo-N,N-diethylhexanamide
SMILESCCN(CC)C(=O)CCCCCBr
InChIInChI=1S/C10H20BrNO/c1-3-12(4-2)10(13)8-6-5-7-9-11/h3-9H2,1-2H3
InChIKeyHHKKDNPOOYXWOO-UHFFFAOYSA-N
XLogP2.81
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.18
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6-bromo-N,N-diethylhexanamide with MolForge

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

Launch Full Analysis

Related Compounds

N,N-Dibutylhexanamide
CID 304113
N,N-Dipropylhexanamide
CID 221999
N,N-Diethylhexanamide
CID 221977
1-(4-Bromobutyl)-2-piperidinone
CID 536377
N-Methyl-N-butylhexanamide
CID 14950147
Bromoacetamide, N,N-dihexyl-
CID 532878
Pentanamide, N,N-dihexyl-5-bromo-
CID 532966
Pentanamide, N,N-dioctyl-5-bromo-
CID 532971
Pentanamide, N,N-didecyl-5-bromo-
CID 532973
Hexanamide, N,N-dihexyl-6-bromo-
CID 533335
Hexanamide, N,N-dioctyl-6-bromo-
CID 533338
Hexanamide, N,N-didecyl-6-bromo-
CID 533340

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N,N-diethylhexanamide?
The IUPAC name of 6-bromo-N,N-diethylhexanamide (CID 10658295) is 6-bromo-N,N-diethylhexanamide.
What is the SMILES notation for 6-bromo-N,N-diethylhexanamide?
The canonical SMILES for 6-bromo-N,N-diethylhexanamide is CCN(CC)C(=O)CCCCCBr.
What is the InChIKey of 6-bromo-N,N-diethylhexanamide?
The InChIKey is HHKKDNPOOYXWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20BrNO/c1-3-12(4-2)10(13)8-6-5-7-9-11/h3-9H2,1-2H3.
What are the key properties of 6-bromo-N,N-diethylhexanamide?
6-bromo-N,N-diethylhexanamide has a molecular weight of 250.18 g/mol, XLogP of 2.81, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N,N-diethylhexanamide is sourced from PubChem (CID 10658295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).