azane;3-bromohexan-2-ol

C6H16BrNO — CID 174944602

IUPACazane;3-bromohexan-2-ol
SMILESCCCC(Br)C(C)O.N
InChIInChI=1S/C6H13BrO.H3N/c1-3-4-6(7)5(2)8;/h5-6,8H,3-4H2,1-2H3;1H3
InChIKeyNZYPLSZLJHVBPE-UHFFFAOYSA-N
MW198.10 g/mol
LogP2.09
Rot. Bonds3

About azane;3-bromohexan-2-ol

azane;3-bromohexan-2-ol (PubChem CID 174944602) has the molecular formula C6H16BrNO and a molecular weight of 198.10 g/mol. Its IUPAC name is azane;3-bromohexan-2-ol.

Molecular Properties

Compound Nameazane;3-bromohexan-2-ol
PubChem CID174944602
Molecular FormulaC6H16BrNO
Molecular Weight198.10 g/mol
Exact Mass197.04
IUPAC Nameazane;3-bromohexan-2-ol
SMILESCCCC(Br)C(C)O.N
InChIInChI=1S/C6H13BrO.H3N/c1-3-4-6(7)5(2)8;/h5-6,8H,3-4H2,1-2H3;1H3
InChIKeyNZYPLSZLJHVBPE-UHFFFAOYSA-N
XLogP2.09
TPSA55.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.10
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of azane;3-bromohexan-2-ol?
The IUPAC name of azane;3-bromohexan-2-ol (CID 174944602) is azane;3-bromohexan-2-ol.
What is the SMILES notation for azane;3-bromohexan-2-ol?
The canonical SMILES for azane;3-bromohexan-2-ol is CCCC(Br)C(C)O.N.
What is the InChIKey of azane;3-bromohexan-2-ol?
The InChIKey is NZYPLSZLJHVBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13BrO.H3N/c1-3-4-6(7)5(2)8;/h5-6,8H,3-4H2,1-2H3;1H3.
What are the key properties of azane;3-bromohexan-2-ol?
azane;3-bromohexan-2-ol has a molecular weight of 198.10 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;3-bromohexan-2-ol is sourced from PubChem (CID 174944602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).