6-bromo-N,N-diethyl-5-methylhexan-1-amine

C11H24BrN — CID 88741201

IUPAC6-bromo-N,N-diethyl-5-methylhexan-1-amine
SMILESCCN(CC)CCCCC(C)CBr
InChIInChI=1S/C11H24BrN/c1-4-13(5-2)9-7-6-8-11(3)10-12/h11H,4-10H2,1-3H3
InChIKeyVNJGUEWXXXRFKA-UHFFFAOYSA-N
MW250.22 g/mol
LogP3.53
Rot. Bonds8

About 6-bromo-N,N-diethyl-5-methylhexan-1-amine

6-bromo-N,N-diethyl-5-methylhexan-1-amine (PubChem CID 88741201) has the molecular formula C11H24BrN and a molecular weight of 250.22 g/mol. Its IUPAC name is 6-bromo-N,N-diethyl-5-methylhexan-1-amine.

Molecular Properties

Compound Name6-bromo-N,N-diethyl-5-methylhexan-1-amine
PubChem CID88741201
Molecular FormulaC11H24BrN
Molecular Weight250.22 g/mol
Exact Mass249.11
IUPAC Name6-bromo-N,N-diethyl-5-methylhexan-1-amine
SMILESCCN(CC)CCCCC(C)CBr
InChIInChI=1S/C11H24BrN/c1-4-13(5-2)9-7-6-8-11(3)10-12/h11H,4-10H2,1-3H3
InChIKeyVNJGUEWXXXRFKA-UHFFFAOYSA-N
XLogP3.53
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 53.53
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-diethyl-5-methylhexan-1-amine?
The IUPAC name of 6-bromo-N,N-diethyl-5-methylhexan-1-amine (CID 88741201) is 6-bromo-N,N-diethyl-5-methylhexan-1-amine.
What is the SMILES notation for 6-bromo-N,N-diethyl-5-methylhexan-1-amine?
The canonical SMILES for 6-bromo-N,N-diethyl-5-methylhexan-1-amine is CCN(CC)CCCCC(C)CBr.
What is the InChIKey of 6-bromo-N,N-diethyl-5-methylhexan-1-amine?
The InChIKey is VNJGUEWXXXRFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24BrN/c1-4-13(5-2)9-7-6-8-11(3)10-12/h11H,4-10H2,1-3H3.
What are the key properties of 6-bromo-N,N-diethyl-5-methylhexan-1-amine?
6-bromo-N,N-diethyl-5-methylhexan-1-amine has a molecular weight of 250.22 g/mol, XLogP of 3.53, 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-diethyl-5-methylhexan-1-amine is sourced from PubChem (CID 88741201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).