4-azido-1,6-dimethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane

C16H23N3 — CID 58755437

IUPAC4-azido-1,6-dimethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane
SMILESCC12CC3CC4C1CC1(N=[N+]=[N-])CC2C(C3)C4(C)C1
InChIInChI=1S/C16H23N3/c1-14-5-9-3-10-12(14)6-16(18-19-17)7-13(14)11(4-9)15(10,2)8-16/h9-13H,3-8H2,1-2H3
InChIKeyAETILRIALWAQFH-UHFFFAOYSA-N
MW257.38 g/mol
LogP4.54
Rot. Bonds1

About 4-azido-1,6-dimethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane

4-azido-1,6-dimethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane (PubChem CID 58755437) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 4-azido-1,6-dimethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane.

Molecular Properties

Compound Name4-azido-1,6-dimethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane
PubChem CID58755437
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name4-azido-1,6-dimethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane
SMILESCC12CC3CC4C1CC1(N=[N+]=[N-])CC2C(C3)C4(C)C1
InChIInChI=1S/C16H23N3/c1-14-5-9-3-10-12(14)6-16(18-19-17)7-13(14)11(4-9)15(10,2)8-16/h9-13H,3-8H2,1-2H3
InChIKeyAETILRIALWAQFH-UHFFFAOYSA-N
XLogP4.54
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 54.54
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 4-azido-1,6-dimethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane?
The IUPAC name of 4-azido-1,6-dimethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane (CID 58755437) is 4-azido-1,6-dimethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane.
What is the SMILES notation for 4-azido-1,6-dimethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane?
The canonical SMILES for 4-azido-1,6-dimethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane is CC12CC3CC4C1CC1(N=[N+]=[N-])CC2C(C3)C4(C)C1.
What is the InChIKey of 4-azido-1,6-dimethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane?
The InChIKey is AETILRIALWAQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-14-5-9-3-10-12(14)6-16(18-19-17)7-13(14)11(4-9)15(10,2)8-16/h9-13H,3-8H2,1-2H3.
What are the key properties of 4-azido-1,6-dimethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane?
4-azido-1,6-dimethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane has a molecular weight of 257.38 g/mol, XLogP of 4.54, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azido-1,6-dimethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane is sourced from PubChem (CID 58755437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).