(1R,2R)-1-azido-2-cyclohexylpropane-1,2-diol

C9H17N3O2 — CID 140532497

IUPAC(1R,2R)-1-azido-2-cyclohexylpropane-1,2-diol
SMILESC[C@@](O)(C1CCCCC1)[C@@H](O)N=[N+]=[N-]
InChIInChI=1S/C9H17N3O2/c1-9(14,8(13)11-12-10)7-5-3-2-4-6-7/h7-8,13-14H,2-6H2,1H3/t8-,9-/m1/s1
InChIKeyYEYAHJGVUOWYOB-RKDXNWHRSA-N
MW199.25 g/mol
LogP1.95
Rot. Bonds3

About (1R,2R)-1-azido-2-cyclohexylpropane-1,2-diol

(1R,2R)-1-azido-2-cyclohexylpropane-1,2-diol (PubChem CID 140532497) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is (1R,2R)-1-azido-2-cyclohexylpropane-1,2-diol.

Molecular Properties

Compound Name(1R,2R)-1-azido-2-cyclohexylpropane-1,2-diol
PubChem CID140532497
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name(1R,2R)-1-azido-2-cyclohexylpropane-1,2-diol
SMILESC[C@@](O)(C1CCCCC1)[C@@H](O)N=[N+]=[N-]
InChIInChI=1S/C9H17N3O2/c1-9(14,8(13)11-12-10)7-5-3-2-4-6-7/h7-8,13-14H,2-6H2,1H3/t8-,9-/m1/s1
InChIKeyYEYAHJGVUOWYOB-RKDXNWHRSA-N
XLogP1.95
TPSA89.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Related Compounds

(2R)-1-azido-2-cyclohexylpropan-2-ol
CID 131169123
(2S,3S)-3-azido-3-cyclohexylpropane-1,2-diol
CID 134892784
(2S,3R)-5-azido-2-hexyl-4-methylpentane-1,3,4-triol
CID 18654068
1-Azido-3,7,11,15-tetramethylhexadecane-2,3-diol
CID 57832073
3-Azido-2-cyclohexylpropane-1,2-diol
CID 90978359
1-Azido-2-cyclohexylpropan-2-ol
CID 123621305
1-Azido-4-cyclohexylbutan-2-ol
CID 143558147
(7R,11R)-1-azido-3,7,11,15-tetramethylhexadecane-2,3-diol
CID 162487677
(2S,3R,4R)-2-azido-1-cyclohexyl-6-methylheptane-3,4-diol
CID 10612060
(2S,3R,4S)-2-azido-1-cyclohexyl-6-methylheptane-3,4-diol
CID 11021931
6-Azido-3,7-dimethyloctane-1,7-diol
CID 11031237
3-Azido-3-cyclohexyl-1,2-propanediol
CID 13427839

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-azido-2-cyclohexylpropane-1,2-diol?
The IUPAC name of (1R,2R)-1-azido-2-cyclohexylpropane-1,2-diol (CID 140532497) is (1R,2R)-1-azido-2-cyclohexylpropane-1,2-diol.
What is the SMILES notation for (1R,2R)-1-azido-2-cyclohexylpropane-1,2-diol?
The canonical SMILES for (1R,2R)-1-azido-2-cyclohexylpropane-1,2-diol is C[C@@](O)(C1CCCCC1)[C@@H](O)N=[N+]=[N-].
What is the InChIKey of (1R,2R)-1-azido-2-cyclohexylpropane-1,2-diol?
The InChIKey is YEYAHJGVUOWYOB-RKDXNWHRSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-9(14,8(13)11-12-10)7-5-3-2-4-6-7/h7-8,13-14H,2-6H2,1H3/t8-,9-/m1/s1.
What are the key properties of (1R,2R)-1-azido-2-cyclohexylpropane-1,2-diol?
(1R,2R)-1-azido-2-cyclohexylpropane-1,2-diol has a molecular weight of 199.25 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-azido-2-cyclohexylpropane-1,2-diol is sourced from PubChem (CID 140532497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).