5-(2-azido-2-methylpropyl)-1,1,3,3-tetramethylcyclohexane

C14H27N3 — CID 18783144

IUPAC5-(2-azido-2-methylpropyl)-1,1,3,3-tetramethylcyclohexane
SMILESCC1(C)CC(CC(C)(C)N=[N+]=[N-])CC(C)(C)C1
InChIInChI=1S/C14H27N3/c1-12(2)7-11(8-13(3,4)10-12)9-14(5,6)16-17-15/h11H,7-10H2,1-6H3
InChIKeyXPLOLFCBYGPWPZ-UHFFFAOYSA-N
MW237.39 g/mol
LogP5.32
Rot. Bonds3

About 5-(2-azido-2-methylpropyl)-1,1,3,3-tetramethylcyclohexane

5-(2-azido-2-methylpropyl)-1,1,3,3-tetramethylcyclohexane (PubChem CID 18783144) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 5-(2-azido-2-methylpropyl)-1,1,3,3-tetramethylcyclohexane.

Molecular Properties

Compound Name5-(2-azido-2-methylpropyl)-1,1,3,3-tetramethylcyclohexane
PubChem CID18783144
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name5-(2-azido-2-methylpropyl)-1,1,3,3-tetramethylcyclohexane
SMILESCC1(C)CC(CC(C)(C)N=[N+]=[N-])CC(C)(C)C1
InChIInChI=1S/C14H27N3/c1-12(2)7-11(8-13(3,4)10-12)9-14(5,6)16-17-15/h11H,7-10H2,1-6H3
InChIKeyXPLOLFCBYGPWPZ-UHFFFAOYSA-N
XLogP5.32
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500237.39
LogP ≤ 55.32
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 5-(2-azido-2-methylpropyl)-1,1,3,3-tetramethylcyclohexane?
The IUPAC name of 5-(2-azido-2-methylpropyl)-1,1,3,3-tetramethylcyclohexane (CID 18783144) is 5-(2-azido-2-methylpropyl)-1,1,3,3-tetramethylcyclohexane.
What is the SMILES notation for 5-(2-azido-2-methylpropyl)-1,1,3,3-tetramethylcyclohexane?
The canonical SMILES for 5-(2-azido-2-methylpropyl)-1,1,3,3-tetramethylcyclohexane is CC1(C)CC(CC(C)(C)N=[N+]=[N-])CC(C)(C)C1.
What is the InChIKey of 5-(2-azido-2-methylpropyl)-1,1,3,3-tetramethylcyclohexane?
The InChIKey is XPLOLFCBYGPWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-12(2)7-11(8-13(3,4)10-12)9-14(5,6)16-17-15/h11H,7-10H2,1-6H3.
What are the key properties of 5-(2-azido-2-methylpropyl)-1,1,3,3-tetramethylcyclohexane?
5-(2-azido-2-methylpropyl)-1,1,3,3-tetramethylcyclohexane has a molecular weight of 237.39 g/mol, XLogP of 5.32, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-azido-2-methylpropyl)-1,1,3,3-tetramethylcyclohexane is sourced from PubChem (CID 18783144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).