(6R,9S,12S,15R)-3-azahexacyclo[7.6.0.01,5.05,12.06,10.011,15]pentadeca-7,13-diene

C14H15N — CID 52952463

IUPAC(6R,9S,12S,15R)-3-azahexacyclo[7.6.0.01,5.05,12.06,10.011,15]pentadeca-7,13-diene
SMILESC1=C[C@H]2C3C4[C@H]5C=C[C@@H]4C4(CNCC524)[C@H]13
InChIInChI=1S/C14H15N/c1-2-8-11-7(1)13-5-15-6-14(8,13)10-4-3-9(13)12(10)11/h1-4,7-12,15H,5-6H2/t7-,8+,9+,10-,11?,12?,13?,14?
InChIKeyTZIOFWBGOYMEIA-SCTILFKYSA-N
MW197.28 g/mol
LogP1.44
Rot. Bonds

About (6R,9S,12S,15R)-3-azahexacyclo[7.6.0.01,5.05,12.06,10.011,15]pentadeca-7,13-diene

(6R,9S,12S,15R)-3-azahexacyclo[7.6.0.01,5.05,12.06,10.011,15]pentadeca-7,13-diene (PubChem CID 52952463) has the molecular formula C14H15N and a molecular weight of 197.28 g/mol. Its IUPAC name is (6R,9S,12S,15R)-3-azahexacyclo[7.6.0.01,5.05,12.06,10.011,15]pentadeca-7,13-diene.

Molecular Properties

Compound Name(6R,9S,12S,15R)-3-azahexacyclo[7.6.0.01,5.05,12.06,10.011,15]pentadeca-7,13-diene
PubChem CID52952463
Molecular FormulaC14H15N
Molecular Weight197.28 g/mol
Exact Mass197.12
IUPAC Name(6R,9S,12S,15R)-3-azahexacyclo[7.6.0.01,5.05,12.06,10.011,15]pentadeca-7,13-diene
SMILESC1=C[C@H]2C3C4[C@H]5C=C[C@@H]4C4(CNCC524)[C@H]13
InChIInChI=1S/C14H15N/c1-2-8-11-7(1)13-5-15-6-14(8,13)10-4-3-9(13)12(10)11/h1-4,7-12,15H,5-6H2/t7-,8+,9+,10-,11?,12?,13?,14?
InChIKeyTZIOFWBGOYMEIA-SCTILFKYSA-N
XLogP1.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6R,9S,12S,15R)-3-azahexacyclo[7.6.0.01,5.05,12.06,10.011,15]pentadeca-7,13-diene?
The IUPAC name of (6R,9S,12S,15R)-3-azahexacyclo[7.6.0.01,5.05,12.06,10.011,15]pentadeca-7,13-diene (CID 52952463) is (6R,9S,12S,15R)-3-azahexacyclo[7.6.0.01,5.05,12.06,10.011,15]pentadeca-7,13-diene.
What is the SMILES notation for (6R,9S,12S,15R)-3-azahexacyclo[7.6.0.01,5.05,12.06,10.011,15]pentadeca-7,13-diene?
The canonical SMILES for (6R,9S,12S,15R)-3-azahexacyclo[7.6.0.01,5.05,12.06,10.011,15]pentadeca-7,13-diene is C1=C[C@H]2C3C4[C@H]5C=C[C@@H]4C4(CNCC524)[C@H]13.
What is the InChIKey of (6R,9S,12S,15R)-3-azahexacyclo[7.6.0.01,5.05,12.06,10.011,15]pentadeca-7,13-diene?
The InChIKey is TZIOFWBGOYMEIA-SCTILFKYSA-N. The full InChI is InChI=1S/C14H15N/c1-2-8-11-7(1)13-5-15-6-14(8,13)10-4-3-9(13)12(10)11/h1-4,7-12,15H,5-6H2/t7-,8+,9+,10-,11?,12?,13?,14?.
What are the key properties of (6R,9S,12S,15R)-3-azahexacyclo[7.6.0.01,5.05,12.06,10.011,15]pentadeca-7,13-diene?
(6R,9S,12S,15R)-3-azahexacyclo[7.6.0.01,5.05,12.06,10.011,15]pentadeca-7,13-diene has a molecular weight of 197.28 g/mol, XLogP of 1.44, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,9S,12S,15R)-3-azahexacyclo[7.6.0.01,5.05,12.06,10.011,15]pentadeca-7,13-diene is sourced from PubChem (CID 52952463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).