15-propan-2-ylidene-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene

C16H16N2 — CID 15506902

IUPAC15-propan-2-ylidene-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene
SMILESCC(C)=C1C2CCC1c1nc3ccccc3nc12
InChIInChI=1S/C16H16N2/c1-9(2)14-10-7-8-11(14)16-15(10)17-12-5-3-4-6-13(12)18-16/h3-6,10-11H,7-8H2,1-2H3
InChIKeyDZCONMASVGJXAJ-UHFFFAOYSA-N
MW236.32 g/mol
LogP3.94
Rot. Bonds

About 15-propan-2-ylidene-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene

15-propan-2-ylidene-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene (PubChem CID 15506902) has the molecular formula C16H16N2 and a molecular weight of 236.32 g/mol. Its IUPAC name is 15-propan-2-ylidene-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene.

Molecular Properties

Compound Name15-propan-2-ylidene-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene
PubChem CID15506902
Molecular FormulaC16H16N2
Molecular Weight236.32 g/mol
Exact Mass236.13
IUPAC Name15-propan-2-ylidene-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene
SMILESCC(C)=C1C2CCC1c1nc3ccccc3nc12
InChIInChI=1S/C16H16N2/c1-9(2)14-10-7-8-11(14)16-15(10)17-12-5-3-4-6-13(12)18-16/h3-6,10-11H,7-8H2,1-2H3
InChIKeyDZCONMASVGJXAJ-UHFFFAOYSA-N
XLogP3.94
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 15-propan-2-ylidene-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene?
The IUPAC name of 15-propan-2-ylidene-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene (CID 15506902) is 15-propan-2-ylidene-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene.
What is the SMILES notation for 15-propan-2-ylidene-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene?
The canonical SMILES for 15-propan-2-ylidene-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene is CC(C)=C1C2CCC1c1nc3ccccc3nc12.
What is the InChIKey of 15-propan-2-ylidene-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene?
The InChIKey is DZCONMASVGJXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2/c1-9(2)14-10-7-8-11(14)16-15(10)17-12-5-3-4-6-13(12)18-16/h3-6,10-11H,7-8H2,1-2H3.
What are the key properties of 15-propan-2-ylidene-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene?
15-propan-2-ylidene-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene has a molecular weight of 236.32 g/mol, XLogP of 3.94, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 15-propan-2-ylidene-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene is sourced from PubChem (CID 15506902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).