(2S)-1-azido-2-cyclohexylpropan-2-ol

C9H17N3O — CID 15446679

IUPAC(2S)-1-azido-2-cyclohexylpropan-2-ol
SMILESC[C@@](O)(CN=[N+]=[N-])C1CCCCC1
InChIInChI=1S/C9H17N3O/c1-9(13,7-11-12-10)8-5-3-2-4-6-8/h8,13H,2-7H2,1H3/t9-/m1/s1
InChIKeyUIJHOEAHPZINTM-SECBINFHSA-N
MW183.25 g/mol
LogP2.63
Rot. Bonds3

About (2S)-1-azido-2-cyclohexylpropan-2-ol

(2S)-1-azido-2-cyclohexylpropan-2-ol (PubChem CID 15446679) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is (2S)-1-azido-2-cyclohexylpropan-2-ol.

Molecular Properties

Compound Name(2S)-1-azido-2-cyclohexylpropan-2-ol
PubChem CID15446679
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name(2S)-1-azido-2-cyclohexylpropan-2-ol
SMILESC[C@@](O)(CN=[N+]=[N-])C1CCCCC1
InChIInChI=1S/C9H17N3O/c1-9(13,7-11-12-10)8-5-3-2-4-6-8/h8,13H,2-7H2,1H3/t9-/m1/s1
InChIKeyUIJHOEAHPZINTM-SECBINFHSA-N
XLogP2.63
TPSA68.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-azido-2-cyclohexylpropan-2-ol?
The IUPAC name of (2S)-1-azido-2-cyclohexylpropan-2-ol (CID 15446679) is (2S)-1-azido-2-cyclohexylpropan-2-ol.
What is the SMILES notation for (2S)-1-azido-2-cyclohexylpropan-2-ol?
The canonical SMILES for (2S)-1-azido-2-cyclohexylpropan-2-ol is C[C@@](O)(CN=[N+]=[N-])C1CCCCC1.
What is the InChIKey of (2S)-1-azido-2-cyclohexylpropan-2-ol?
The InChIKey is UIJHOEAHPZINTM-SECBINFHSA-N. The full InChI is InChI=1S/C9H17N3O/c1-9(13,7-11-12-10)8-5-3-2-4-6-8/h8,13H,2-7H2,1H3/t9-/m1/s1.
What are the key properties of (2S)-1-azido-2-cyclohexylpropan-2-ol?
(2S)-1-azido-2-cyclohexylpropan-2-ol has a molecular weight of 183.25 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-azido-2-cyclohexylpropan-2-ol is sourced from PubChem (CID 15446679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).