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

C10H22BrN — CID 12583379

IUPAC6-bromo-N,N-diethylhexan-1-amine
SMILESCCN(CC)CCCCCCBr
InChIInChI=1S/C10H22BrN/c1-3-12(4-2)10-8-6-5-7-9-11/h3-10H2,1-2H3
InChIKeyGGSFATGQTSRBQK-UHFFFAOYSA-N
MW236.20 g/mol
LogP3.28
Rot. Bonds8

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

6-bromo-N,N-diethylhexan-1-amine (PubChem CID 12583379) has the molecular formula C10H22BrN and a molecular weight of 236.20 g/mol. Its IUPAC name is 6-bromo-N,N-diethylhexan-1-amine.

Molecular Properties

Compound Name6-bromo-N,N-diethylhexan-1-amine
PubChem CID12583379
Molecular FormulaC10H22BrN
Molecular Weight236.20 g/mol
Exact Mass235.09
IUPAC Name6-bromo-N,N-diethylhexan-1-amine
SMILESCCN(CC)CCCCCCBr
InChIInChI=1S/C10H22BrN/c1-3-12(4-2)10-8-6-5-7-9-11/h3-10H2,1-2H3
InChIKeyGGSFATGQTSRBQK-UHFFFAOYSA-N
XLogP3.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.20
LogP ≤ 53.28
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

1,3-dibromopropane; N,N,N',N'-tetramethylhexane-1,6-diamine
CID 24769
Triethylhexylammonium bromide
CID 10825627
(5-Bromopentyl)trimethylammonium bromide
CID 11098210
Ammonium, (6-bromohexyl)trimethyl-, bromide
CID 9857584
(5-Bromo-pentyl)-trimethyl-ammonium
CID 4385120
N-(2-Bromoethyl)-N,N-dimethyldecan-1-aminium bromide
CID 52138
(6-Bromohexyl)diethylamine hydrobromide
CID 12583380
(5-Bromopentyl)dimethylamine hydrobromide
CID 164186327
6-Bromohexyltrimethylaminium
CID 9857585
(4-Bromobutyl)diethylamine hydrobromide
CID 73994695
4-Bromobutyl-triethylammonium bromide
CID 13552201
5-Bromopentyltriethylammonium bromide
CID 13552203

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N,N-diethylhexan-1-amine?
The IUPAC name of 6-bromo-N,N-diethylhexan-1-amine (CID 12583379) is 6-bromo-N,N-diethylhexan-1-amine.
What is the SMILES notation for 6-bromo-N,N-diethylhexan-1-amine?
The canonical SMILES for 6-bromo-N,N-diethylhexan-1-amine is CCN(CC)CCCCCCBr.
What is the InChIKey of 6-bromo-N,N-diethylhexan-1-amine?
The InChIKey is GGSFATGQTSRBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22BrN/c1-3-12(4-2)10-8-6-5-7-9-11/h3-10H2,1-2H3.
What are the key properties of 6-bromo-N,N-diethylhexan-1-amine?
6-bromo-N,N-diethylhexan-1-amine has a molecular weight of 236.20 g/mol, XLogP of 3.28, 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 is sourced from PubChem (CID 12583379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).