2-azapentacyclo[6.6.6.02,7.09,14.015,20]icosa-9,11,13-triene

C19H25N — CID 15212685

IUPAC2-azapentacyclo[6.6.6.02,7.09,14.015,20]icosa-9,11,13-triene
SMILESc1ccc2c(c1)C1C3CCCCC3C2N2CCCCC12
InChIInChI=1S/C19H25N/c1-3-9-15-13(7-1)18-14-8-2-4-10-16(14)19(15)20-12-6-5-11-17(18)20/h1,3,7,9,14,16-19H,2,4-6,8,10-12H2
InChIKeyQEJMRCZGZHIZSC-UHFFFAOYSA-N
MW267.42 g/mol
LogP4.50
Rot. Bonds

About 2-azapentacyclo[6.6.6.02,7.09,14.015,20]icosa-9,11,13-triene

2-azapentacyclo[6.6.6.02,7.09,14.015,20]icosa-9,11,13-triene (PubChem CID 15212685) has the molecular formula C19H25N and a molecular weight of 267.42 g/mol. Its IUPAC name is 2-azapentacyclo[6.6.6.02,7.09,14.015,20]icosa-9,11,13-triene.

Molecular Properties

Compound Name2-azapentacyclo[6.6.6.02,7.09,14.015,20]icosa-9,11,13-triene
PubChem CID15212685
Molecular FormulaC19H25N
Molecular Weight267.42 g/mol
Exact Mass267.20
IUPAC Name2-azapentacyclo[6.6.6.02,7.09,14.015,20]icosa-9,11,13-triene
SMILESc1ccc2c(c1)C1C3CCCCC3C2N2CCCCC12
InChIInChI=1S/C19H25N/c1-3-9-15-13(7-1)18-14-8-2-4-10-16(14)19(15)20-12-6-5-11-17(18)20/h1,3,7,9,14,16-19H,2,4-6,8,10-12H2
InChIKeyQEJMRCZGZHIZSC-UHFFFAOYSA-N
XLogP4.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-azapentacyclo[6.6.6.02,7.09,14.015,20]icosa-9,11,13-triene?
The IUPAC name of 2-azapentacyclo[6.6.6.02,7.09,14.015,20]icosa-9,11,13-triene (CID 15212685) is 2-azapentacyclo[6.6.6.02,7.09,14.015,20]icosa-9,11,13-triene.
What is the SMILES notation for 2-azapentacyclo[6.6.6.02,7.09,14.015,20]icosa-9,11,13-triene?
The canonical SMILES for 2-azapentacyclo[6.6.6.02,7.09,14.015,20]icosa-9,11,13-triene is c1ccc2c(c1)C1C3CCCCC3C2N2CCCCC12.
What is the InChIKey of 2-azapentacyclo[6.6.6.02,7.09,14.015,20]icosa-9,11,13-triene?
The InChIKey is QEJMRCZGZHIZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N/c1-3-9-15-13(7-1)18-14-8-2-4-10-16(14)19(15)20-12-6-5-11-17(18)20/h1,3,7,9,14,16-19H,2,4-6,8,10-12H2.
What are the key properties of 2-azapentacyclo[6.6.6.02,7.09,14.015,20]icosa-9,11,13-triene?
2-azapentacyclo[6.6.6.02,7.09,14.015,20]icosa-9,11,13-triene has a molecular weight of 267.42 g/mol, XLogP of 4.50, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azapentacyclo[6.6.6.02,7.09,14.015,20]icosa-9,11,13-triene is sourced from PubChem (CID 15212685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).