6-amino-2-bromohexan-1-ol

C6H14BrNO — CID 110189651

IUPAC6-amino-2-bromohexan-1-ol
SMILESNCCCCC(Br)CO
InChIInChI=1S/C6H14BrNO/c7-6(5-9)3-1-2-4-8/h6,9H,1-5,8H2
InChIKeyVECURIHEGIZYLF-UHFFFAOYSA-N
MW196.09 g/mol
LogP0.87
Rot. Bonds5

About 6-amino-2-bromohexan-1-ol

6-amino-2-bromohexan-1-ol (PubChem CID 110189651) has the molecular formula C6H14BrNO and a molecular weight of 196.09 g/mol. Its IUPAC name is 6-amino-2-bromohexan-1-ol.

Molecular Properties

Compound Name6-amino-2-bromohexan-1-ol
PubChem CID110189651
Molecular FormulaC6H14BrNO
Molecular Weight196.09 g/mol
Exact Mass195.03
IUPAC Name6-amino-2-bromohexan-1-ol
SMILESNCCCCC(Br)CO
InChIInChI=1S/C6H14BrNO/c7-6(5-9)3-1-2-4-8/h6,9H,1-5,8H2
InChIKeyVECURIHEGIZYLF-UHFFFAOYSA-N
XLogP0.87
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.09
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

Sodium 6-amino-4-bromohexan-1-olate
CID 88777646
1-Amino-3-bromohexan-2-ol
CID 169734232
1-Amino-3-bromohexan-2-ol;hydrobromide
CID 174052773
(2R,3S)-2-Amino-3-bromo-1-hexanol
CID 10899549
6-Amino-4-bromohexan-1-ol
CID 88777647
(5-Bromo-6-hydroxyhexyl)azanium bromide
CID 110189650
1-Amino-7-bromoheptan-2-ol
CID 130003590

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-bromohexan-1-ol?
The IUPAC name of 6-amino-2-bromohexan-1-ol (CID 110189651) is 6-amino-2-bromohexan-1-ol.
What is the SMILES notation for 6-amino-2-bromohexan-1-ol?
The canonical SMILES for 6-amino-2-bromohexan-1-ol is NCCCCC(Br)CO.
What is the InChIKey of 6-amino-2-bromohexan-1-ol?
The InChIKey is VECURIHEGIZYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14BrNO/c7-6(5-9)3-1-2-4-8/h6,9H,1-5,8H2.
What are the key properties of 6-amino-2-bromohexan-1-ol?
6-amino-2-bromohexan-1-ol has a molecular weight of 196.09 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-bromohexan-1-ol is sourced from PubChem (CID 110189651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).