cis-(3S,5R)-1-azido-1,3,5-trimethylcyclohexane

C9H17N3 — CID 10487285

IUPACcis-(3S,5R)-1-azido-1,3,5-trimethylcyclohexane
SMILESC[C@@H]1C[C@H](C)CC(C)(N=[N+]=[N-])C1
InChIInChI=1S/C9H17N3/c1-7-4-8(2)6-9(3,5-7)11-12-10/h7-8H,4-6H2,1-3H3/t7-,8+,9?
InChIKeyFJHRUQMFTRMSFC-JVHMLUBASA-N
MW167.26 g/mol
LogP3.51
Rot. Bonds1

About cis-(3S,5R)-1-azido-1,3,5-trimethylcyclohexane

cis-(3S,5R)-1-azido-1,3,5-trimethylcyclohexane (PubChem CID 10487285) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is cis-(3S,5R)-1-azido-1,3,5-trimethylcyclohexane.

Molecular Properties

Compound Namecis-(3S,5R)-1-azido-1,3,5-trimethylcyclohexane
PubChem CID10487285
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Namecis-(3S,5R)-1-azido-1,3,5-trimethylcyclohexane
SMILESC[C@@H]1C[C@H](C)CC(C)(N=[N+]=[N-])C1
InChIInChI=1S/C9H17N3/c1-7-4-8(2)6-9(3,5-7)11-12-10/h7-8H,4-6H2,1-3H3/t7-,8+,9?
InChIKeyFJHRUQMFTRMSFC-JVHMLUBASA-N
XLogP3.51
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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'}

Analyze cis-(3S,5R)-1-azido-1,3,5-trimethylcyclohexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Azido-1,3,3,5,5-pentamethylcyclohexane
CID 10774241
trans-(1S,5R)-1-azido-5-ethyl-1,3,3-trimethylcyclohexane
CID 10559770
1-Azido-1-propylcyclohexane
CID 13977427
5-(2-Azido-2-methylpropyl)-1,1,3,3-tetramethylcyclohexane
CID 18783144
1-t-Butylazo-1-cyano-3,3,5-trimethylcyclohexane
CID 23344750
Tert-butyl(2,4-dimethyloctan-4-yl)diazene
CID 23344799
2-Azido-2,6-dimethylheptane
CID 23519410
1-(2-Azido-2-methylpropyl)-1,3,3,5,5-pentamethylcyclohexane
CID 53649088
3,3,5-Trimethyl-1-(2-methylbutan-2-yldiazenyl)cyclohexane-1-carbonitrile
CID 70520206
cis-(1S,5S)-1-azido-1-ethyl-3,3,5-trimethylcyclohexane
CID 91218903
(3-Azido-3-methylbutyl)cyclohexane
CID 146447412
(1R,2S,5R)-1-azido-1,5-dimethyl-2-propan-2-ylcyclohexane
CID 146447546

Frequently Asked Questions

What is the IUPAC name of cis-(3S,5R)-1-azido-1,3,5-trimethylcyclohexane?
The IUPAC name of cis-(3S,5R)-1-azido-1,3,5-trimethylcyclohexane (CID 10487285) is cis-(3S,5R)-1-azido-1,3,5-trimethylcyclohexane.
What is the SMILES notation for cis-(3S,5R)-1-azido-1,3,5-trimethylcyclohexane?
The canonical SMILES for cis-(3S,5R)-1-azido-1,3,5-trimethylcyclohexane is C[C@@H]1C[C@H](C)CC(C)(N=[N+]=[N-])C1.
What is the InChIKey of cis-(3S,5R)-1-azido-1,3,5-trimethylcyclohexane?
The InChIKey is FJHRUQMFTRMSFC-JVHMLUBASA-N. The full InChI is InChI=1S/C9H17N3/c1-7-4-8(2)6-9(3,5-7)11-12-10/h7-8H,4-6H2,1-3H3/t7-,8+,9?.
What are the key properties of cis-(3S,5R)-1-azido-1,3,5-trimethylcyclohexane?
cis-(3S,5R)-1-azido-1,3,5-trimethylcyclohexane has a molecular weight of 167.26 g/mol, XLogP of 3.51, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(3S,5R)-1-azido-1,3,5-trimethylcyclohexane is sourced from PubChem (CID 10487285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).