1-azido-4,9-dimethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane

C16H23N3 — CID 59649937

IUPAC1-azido-4,9-dimethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane
SMILESCC12CC3C4CC5(C)CC3C(C1)C(N=[N+]=[N-])(C5)C4C2
InChIInChI=1S/C16H23N3/c1-14-3-9-10-4-15(2)5-11(9)13(7-14)16(8-15,18-19-17)12(10)6-14/h9-13H,3-8H2,1-2H3
InChIKeyQTPFTRDXSGKYPK-UHFFFAOYSA-N
MW257.38 g/mol
LogP4.54
Rot. Bonds1

About 1-azido-4,9-dimethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane

1-azido-4,9-dimethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane (PubChem CID 59649937) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-azido-4,9-dimethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane.

Molecular Properties

Compound Name1-azido-4,9-dimethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane
PubChem CID59649937
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name1-azido-4,9-dimethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane
SMILESCC12CC3C4CC5(C)CC3C(C1)C(N=[N+]=[N-])(C5)C4C2
InChIInChI=1S/C16H23N3/c1-14-3-9-10-4-15(2)5-11(9)13(7-14)16(8-15,18-19-17)12(10)6-14/h9-13H,3-8H2,1-2H3
InChIKeyQTPFTRDXSGKYPK-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 1-azido-4,9-dimethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane?
The IUPAC name of 1-azido-4,9-dimethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane (CID 59649937) is 1-azido-4,9-dimethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane.
What is the SMILES notation for 1-azido-4,9-dimethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane?
The canonical SMILES for 1-azido-4,9-dimethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane is CC12CC3C4CC5(C)CC3C(C1)C(N=[N+]=[N-])(C5)C4C2.
What is the InChIKey of 1-azido-4,9-dimethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane?
The InChIKey is QTPFTRDXSGKYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-14-3-9-10-4-15(2)5-11(9)13(7-14)16(8-15,18-19-17)12(10)6-14/h9-13H,3-8H2,1-2H3.
What are the key properties of 1-azido-4,9-dimethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane?
1-azido-4,9-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 1-azido-4,9-dimethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane is sourced from PubChem (CID 59649937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).