6-bromo-N,N-diethylhexan-1-amine;hydrobromide

C10H23Br2N — CID 12583380

IUPAC6-bromo-N,N-diethylhexan-1-amine;hydrobromide
SMILESBr.CCN(CC)CCCCCCBr
InChIInChI=1S/C10H22BrN.BrH/c1-3-12(4-2)10-8-6-5-7-9-11;/h3-10H2,1-2H3;1H
InChIKeyPEEFONXCSVHYIJ-UHFFFAOYSA-N
MW317.11 g/mol
LogP3.86
Rot. Bonds8

About 6-bromo-N,N-diethylhexan-1-amine;hydrobromide

6-bromo-N,N-diethylhexan-1-amine;hydrobromide (PubChem CID 12583380) has the molecular formula C10H23Br2N and a molecular weight of 317.11 g/mol. Its IUPAC name is 6-bromo-N,N-diethylhexan-1-amine;hydrobromide.

Molecular Properties

Compound Name6-bromo-N,N-diethylhexan-1-amine;hydrobromide
PubChem CID12583380
Molecular FormulaC10H23Br2N
Molecular Weight317.11 g/mol
Exact Mass315.02
IUPAC Name6-bromo-N,N-diethylhexan-1-amine;hydrobromide
SMILESBr.CCN(CC)CCCCCCBr
InChIInChI=1S/C10H22BrN.BrH/c1-3-12(4-2)10-8-6-5-7-9-11;/h3-10H2,1-2H3;1H
InChIKeyPEEFONXCSVHYIJ-UHFFFAOYSA-N
XLogP3.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.11
LogP ≤ 53.86
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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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N,N-diethylhexan-1-amine;hydrobromide?
The IUPAC name of 6-bromo-N,N-diethylhexan-1-amine;hydrobromide (CID 12583380) is 6-bromo-N,N-diethylhexan-1-amine;hydrobromide.
What is the SMILES notation for 6-bromo-N,N-diethylhexan-1-amine;hydrobromide?
The canonical SMILES for 6-bromo-N,N-diethylhexan-1-amine;hydrobromide is Br.CCN(CC)CCCCCCBr.
What is the InChIKey of 6-bromo-N,N-diethylhexan-1-amine;hydrobromide?
The InChIKey is PEEFONXCSVHYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22BrN.BrH/c1-3-12(4-2)10-8-6-5-7-9-11;/h3-10H2,1-2H3;1H.
What are the key properties of 6-bromo-N,N-diethylhexan-1-amine;hydrobromide?
6-bromo-N,N-diethylhexan-1-amine;hydrobromide has a molecular weight of 317.11 g/mol, XLogP of 3.86, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N,N-diethylhexan-1-amine;hydrobromide is sourced from PubChem (CID 12583380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).