6-bromo-N,N-dihexylhexanamide

C18H36BrNO — CID 533335

IUPAC6-bromo-N,N-dihexylhexanamide
SMILESCCCCCCN(CCCCCC)C(=O)CCCCCBr
InChIInChI=1S/C18H36BrNO/c1-3-5-7-12-16-20(17-13-8-6-4-2)18(21)14-10-9-11-15-19/h3-17H2,1-2H3
InChIKeySXKOXSZLUVBISJ-UHFFFAOYSA-N
MW362.40 g/mol
LogP5.93
Rot. Bonds15

About 6-bromo-N,N-dihexylhexanamide

6-bromo-N,N-dihexylhexanamide (PubChem CID 533335) has the molecular formula C18H36BrNO and a molecular weight of 362.40 g/mol. Its IUPAC name is 6-bromo-N,N-dihexylhexanamide.

Molecular Properties

Compound Name6-bromo-N,N-dihexylhexanamide
PubChem CID533335
Molecular FormulaC18H36BrNO
Molecular Weight362.40 g/mol
Exact Mass361.20
IUPAC Name6-bromo-N,N-dihexylhexanamide
SMILESCCCCCCN(CCCCCC)C(=O)CCCCCBr
InChIInChI=1S/C18H36BrNO/c1-3-5-7-12-16-20(17-13-8-6-4-2)18(21)14-10-9-11-15-19/h3-17H2,1-2H3
InChIKeySXKOXSZLUVBISJ-UHFFFAOYSA-N
XLogP5.93
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.40
LogP ≤ 55.93
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'}

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Related Compounds

N,N-bis[4-(dimethylamino)butyl]hexanamide
CID 423377
N,N-Dioctylhexanamide
CID 588480
Pentanamide, N,N-dihexyl-
CID 532888
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-bis(2-ethylhexyl)-6-bromo-
CID 533336
Hexanamide, N,N-dioctyl-6-bromo-
CID 533338
Hexanamide, N,N-didecyl-6-bromo-
CID 533340
N,N,N',N'-tetrabutylhexanediamide
CID 2933474
Hexanamide, N,N-dihexyl-
CID 3606987
6-Bromo-N,N-diethylhexanamide
CID 10658295

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N,N-dihexylhexanamide?
The IUPAC name of 6-bromo-N,N-dihexylhexanamide (CID 533335) is 6-bromo-N,N-dihexylhexanamide.
What is the SMILES notation for 6-bromo-N,N-dihexylhexanamide?
The canonical SMILES for 6-bromo-N,N-dihexylhexanamide is CCCCCCN(CCCCCC)C(=O)CCCCCBr.
What is the InChIKey of 6-bromo-N,N-dihexylhexanamide?
The InChIKey is SXKOXSZLUVBISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36BrNO/c1-3-5-7-12-16-20(17-13-8-6-4-2)18(21)14-10-9-11-15-19/h3-17H2,1-2H3.
What are the key properties of 6-bromo-N,N-dihexylhexanamide?
6-bromo-N,N-dihexylhexanamide has a molecular weight of 362.40 g/mol, XLogP of 5.93, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N,N-dihexylhexanamide is sourced from PubChem (CID 533335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).