1-azido-1,3,3,5,5-pentamethylcyclohexane

C11H21N3 — CID 10774241

IUPAC1-azido-1,3,3,5,5-pentamethylcyclohexane
SMILESCC1(C)CC(C)(C)CC(C)(N=[N+]=[N-])C1
InChIInChI=1S/C11H21N3/c1-9(2)6-10(3,4)8-11(5,7-9)13-14-12/h6-8H2,1-5H3
InChIKeyMBRDDFYIEYJOBP-UHFFFAOYSA-N
MW195.31 g/mol
LogP4.29
Rot. Bonds1

About 1-azido-1,3,3,5,5-pentamethylcyclohexane

1-azido-1,3,3,5,5-pentamethylcyclohexane (PubChem CID 10774241) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 1-azido-1,3,3,5,5-pentamethylcyclohexane.

Molecular Properties

Compound Name1-azido-1,3,3,5,5-pentamethylcyclohexane
PubChem CID10774241
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name1-azido-1,3,3,5,5-pentamethylcyclohexane
SMILESCC1(C)CC(C)(C)CC(C)(N=[N+]=[N-])C1
InChIInChI=1S/C11H21N3/c1-9(2)6-10(3,4)8-11(5,7-9)13-14-12/h6-8H2,1-5H3
InChIKeyMBRDDFYIEYJOBP-UHFFFAOYSA-N
XLogP4.29
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 54.29
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-azido-1,3,3,5,5-pentamethylcyclohexane?
The IUPAC name of 1-azido-1,3,3,5,5-pentamethylcyclohexane (CID 10774241) is 1-azido-1,3,3,5,5-pentamethylcyclohexane.
What is the SMILES notation for 1-azido-1,3,3,5,5-pentamethylcyclohexane?
The canonical SMILES for 1-azido-1,3,3,5,5-pentamethylcyclohexane is CC1(C)CC(C)(C)CC(C)(N=[N+]=[N-])C1.
What is the InChIKey of 1-azido-1,3,3,5,5-pentamethylcyclohexane?
The InChIKey is MBRDDFYIEYJOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-9(2)6-10(3,4)8-11(5,7-9)13-14-12/h6-8H2,1-5H3.
What are the key properties of 1-azido-1,3,3,5,5-pentamethylcyclohexane?
1-azido-1,3,3,5,5-pentamethylcyclohexane has a molecular weight of 195.31 g/mol, XLogP of 4.29, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azido-1,3,3,5,5-pentamethylcyclohexane is sourced from PubChem (CID 10774241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).