cis-(2R,6S)-1-(azidomethyl)-2,6-dimethylcyclohexan-1-ol

C9H17N3O — CID 58814968

IUPACcis-(2R,6S)-1-(azidomethyl)-2,6-dimethylcyclohexan-1-ol
SMILESC[C@@H]1CCC[C@H](C)C1(O)CN=[N+]=[N-]
InChIInChI=1S/C9H17N3O/c1-7-4-3-5-8(2)9(7,13)6-11-12-10/h7-8,13H,3-6H2,1-2H3/t7-,8+,9?
InChIKeyPJIBZYAUHGNIST-JVHMLUBASA-N
MW183.25 g/mol
LogP2.48
Rot. Bonds2

About cis-(2R,6S)-1-(azidomethyl)-2,6-dimethylcyclohexan-1-ol

cis-(2R,6S)-1-(azidomethyl)-2,6-dimethylcyclohexan-1-ol (PubChem CID 58814968) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is cis-(2R,6S)-1-(azidomethyl)-2,6-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Namecis-(2R,6S)-1-(azidomethyl)-2,6-dimethylcyclohexan-1-ol
PubChem CID58814968
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Namecis-(2R,6S)-1-(azidomethyl)-2,6-dimethylcyclohexan-1-ol
SMILESC[C@@H]1CCC[C@H](C)C1(O)CN=[N+]=[N-]
InChIInChI=1S/C9H17N3O/c1-7-4-3-5-8(2)9(7,13)6-11-12-10/h7-8,13H,3-6H2,1-2H3/t7-,8+,9?
InChIKeyPJIBZYAUHGNIST-JVHMLUBASA-N
XLogP2.48
TPSA68.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 52.48
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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Related Compounds

(2R)-1-azido-2-cyclohexylpropan-2-ol
CID 131169123
1-(Aminomethyl)-2,6-dimethylcyclohexan-1-ol
CID 83905264
1-Azido-2-cyclohexylpropan-2-ol
CID 123621305
1-(Aminomethyl)-2-propan-2-ylcyclohexan-1-ol
CID 14275911
(2S)-1-azido-2-cyclohexylpropan-2-ol
CID 15446679
1-(Azidomethyl)-2-methylcyclohexan-1-ol
CID 60154001
1-(Aminomethyl)-2,3-dimethylcyclohexan-1-ol
CID 64756405
1-(Aminomethyl)-2,4-dimethylcyclohexan-1-ol
CID 64756406
1-(Azidomethyl)-2,6-dimethylcyclohexan-1-ol
CID 72433547
1-(Aminomethyl)-2,2,6-trimethylcyclohexan-1-ol
CID 83905901
trans-(1R,2R)-2-(3-azidopropyl)-1-hex-1-ynylcyclohexan-1-ol
CID 101105418
trans-(1S,2S)-2-(3-azidopropyl)-1-hex-1-ynylcyclohexan-1-ol
CID 101105419

Frequently Asked Questions

What is the IUPAC name of cis-(2R,6S)-1-(azidomethyl)-2,6-dimethylcyclohexan-1-ol?
The IUPAC name of cis-(2R,6S)-1-(azidomethyl)-2,6-dimethylcyclohexan-1-ol (CID 58814968) is cis-(2R,6S)-1-(azidomethyl)-2,6-dimethylcyclohexan-1-ol.
What is the SMILES notation for cis-(2R,6S)-1-(azidomethyl)-2,6-dimethylcyclohexan-1-ol?
The canonical SMILES for cis-(2R,6S)-1-(azidomethyl)-2,6-dimethylcyclohexan-1-ol is C[C@@H]1CCC[C@H](C)C1(O)CN=[N+]=[N-].
What is the InChIKey of cis-(2R,6S)-1-(azidomethyl)-2,6-dimethylcyclohexan-1-ol?
The InChIKey is PJIBZYAUHGNIST-JVHMLUBASA-N. The full InChI is InChI=1S/C9H17N3O/c1-7-4-3-5-8(2)9(7,13)6-11-12-10/h7-8,13H,3-6H2,1-2H3/t7-,8+,9?.
What are the key properties of cis-(2R,6S)-1-(azidomethyl)-2,6-dimethylcyclohexan-1-ol?
cis-(2R,6S)-1-(azidomethyl)-2,6-dimethylcyclohexan-1-ol has a molecular weight of 183.25 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(2R,6S)-1-(azidomethyl)-2,6-dimethylcyclohexan-1-ol is sourced from PubChem (CID 58814968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).