(11S)-1-azidopentacyclo[7.3.1.14,12.02,7.06,11]tetradecane

C14H19N3 — CID 54598714

IUPAC(11S)-1-azidopentacyclo[7.3.1.14,12.02,7.06,11]tetradecane
SMILES[N-]=[N+]=NC12CC3CC4C5CC(CC41)CC2[C@H]5C3
InChIInChI=1S/C14H19N3/c15-17-16-14-6-8-2-10-9-1-7(4-12(10)14)5-13(14)11(9)3-8/h7-13H,1-6H2/t7?,8?,9?,10-,11?,12?,13?,14?/m0/s1
InChIKeyBUTZBUITXHYIGY-WKUKCDCHSA-N
MW229.33 g/mol
LogP3.76
Rot. Bonds1

About (11S)-1-azidopentacyclo[7.3.1.14,12.02,7.06,11]tetradecane

(11S)-1-azidopentacyclo[7.3.1.14,12.02,7.06,11]tetradecane (PubChem CID 54598714) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is (11S)-1-azidopentacyclo[7.3.1.14,12.02,7.06,11]tetradecane.

Molecular Properties

Compound Name(11S)-1-azidopentacyclo[7.3.1.14,12.02,7.06,11]tetradecane
PubChem CID54598714
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name(11S)-1-azidopentacyclo[7.3.1.14,12.02,7.06,11]tetradecane
SMILES[N-]=[N+]=NC12CC3CC4C5CC(CC41)CC2[C@H]5C3
InChIInChI=1S/C14H19N3/c15-17-16-14-6-8-2-10-9-1-7(4-12(10)14)5-13(14)11(9)3-8/h7-13H,1-6H2/t7?,8?,9?,10-,11?,12?,13?,14?/m0/s1
InChIKeyBUTZBUITXHYIGY-WKUKCDCHSA-N
XLogP3.76
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 53.76
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 (11S)-1-azidopentacyclo[7.3.1.14,12.02,7.06,11]tetradecane?
The IUPAC name of (11S)-1-azidopentacyclo[7.3.1.14,12.02,7.06,11]tetradecane (CID 54598714) is (11S)-1-azidopentacyclo[7.3.1.14,12.02,7.06,11]tetradecane.
What is the SMILES notation for (11S)-1-azidopentacyclo[7.3.1.14,12.02,7.06,11]tetradecane?
The canonical SMILES for (11S)-1-azidopentacyclo[7.3.1.14,12.02,7.06,11]tetradecane is [N-]=[N+]=NC12CC3CC4C5CC(CC41)CC2[C@H]5C3.
What is the InChIKey of (11S)-1-azidopentacyclo[7.3.1.14,12.02,7.06,11]tetradecane?
The InChIKey is BUTZBUITXHYIGY-WKUKCDCHSA-N. The full InChI is InChI=1S/C14H19N3/c15-17-16-14-6-8-2-10-9-1-7(4-12(10)14)5-13(14)11(9)3-8/h7-13H,1-6H2/t7?,8?,9?,10-,11?,12?,13?,14?/m0/s1.
What are the key properties of (11S)-1-azidopentacyclo[7.3.1.14,12.02,7.06,11]tetradecane?
(11S)-1-azidopentacyclo[7.3.1.14,12.02,7.06,11]tetradecane has a molecular weight of 229.33 g/mol, XLogP of 3.76, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (11S)-1-azidopentacyclo[7.3.1.14,12.02,7.06,11]tetradecane is sourced from PubChem (CID 54598714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).