2-methyl-2-azapentacyclo[13.8.0.03,12.04,9.017,22]tricosa-1(23),3(12),4,6,8,10,15,17,19,21-decaene

C23H19N — CID 58185014

IUPAC2-methyl-2-azapentacyclo[13.8.0.03,12.04,9.017,22]tricosa-1(23),3(12),4,6,8,10,15,17,19,21-decaene
SMILESCN1c2cc3ccccc3cc2CCc2ccc3ccccc3c21
InChIInChI=1S/C23H19N/c1-24-22-15-19-8-3-2-7-18(19)14-20(22)13-12-17-11-10-16-6-4-5-9-21(16)23(17)24/h2-11,14-15H,12-13H2,1H3
InChIKeyKKHBJDSQSQIMFV-UHFFFAOYSA-N
MW309.41 g/mol
LogP5.86
Rot. Bonds

About 2-methyl-2-azapentacyclo[13.8.0.03,12.04,9.017,22]tricosa-1(23),3(12),4,6,8,10,15,17,19,21-decaene

2-methyl-2-azapentacyclo[13.8.0.03,12.04,9.017,22]tricosa-1(23),3(12),4,6,8,10,15,17,19,21-decaene (PubChem CID 58185014) has the molecular formula C23H19N and a molecular weight of 309.41 g/mol. Its IUPAC name is 2-methyl-2-azapentacyclo[13.8.0.03,12.04,9.017,22]tricosa-1(23),3(12),4,6,8,10,15,17,19,21-decaene.

Molecular Properties

Compound Name2-methyl-2-azapentacyclo[13.8.0.03,12.04,9.017,22]tricosa-1(23),3(12),4,6,8,10,15,17,19,21-decaene
PubChem CID58185014
Molecular FormulaC23H19N
Molecular Weight309.41 g/mol
Exact Mass309.15
IUPAC Name2-methyl-2-azapentacyclo[13.8.0.03,12.04,9.017,22]tricosa-1(23),3(12),4,6,8,10,15,17,19,21-decaene
SMILESCN1c2cc3ccccc3cc2CCc2ccc3ccccc3c21
InChIInChI=1S/C23H19N/c1-24-22-15-19-8-3-2-7-18(19)14-20(22)13-12-17-11-10-16-6-4-5-9-21(16)23(17)24/h2-11,14-15H,12-13H2,1H3
InChIKeyKKHBJDSQSQIMFV-UHFFFAOYSA-N
XLogP5.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.41
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-azapentacyclo[13.8.0.03,12.04,9.017,22]tricosa-1(23),3(12),4,6,8,10,15,17,19,21-decaene?
The IUPAC name of 2-methyl-2-azapentacyclo[13.8.0.03,12.04,9.017,22]tricosa-1(23),3(12),4,6,8,10,15,17,19,21-decaene (CID 58185014) is 2-methyl-2-azapentacyclo[13.8.0.03,12.04,9.017,22]tricosa-1(23),3(12),4,6,8,10,15,17,19,21-decaene.
What is the SMILES notation for 2-methyl-2-azapentacyclo[13.8.0.03,12.04,9.017,22]tricosa-1(23),3(12),4,6,8,10,15,17,19,21-decaene?
The canonical SMILES for 2-methyl-2-azapentacyclo[13.8.0.03,12.04,9.017,22]tricosa-1(23),3(12),4,6,8,10,15,17,19,21-decaene is CN1c2cc3ccccc3cc2CCc2ccc3ccccc3c21.
What is the InChIKey of 2-methyl-2-azapentacyclo[13.8.0.03,12.04,9.017,22]tricosa-1(23),3(12),4,6,8,10,15,17,19,21-decaene?
The InChIKey is KKHBJDSQSQIMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N/c1-24-22-15-19-8-3-2-7-18(19)14-20(22)13-12-17-11-10-16-6-4-5-9-21(16)23(17)24/h2-11,14-15H,12-13H2,1H3.
What are the key properties of 2-methyl-2-azapentacyclo[13.8.0.03,12.04,9.017,22]tricosa-1(23),3(12),4,6,8,10,15,17,19,21-decaene?
2-methyl-2-azapentacyclo[13.8.0.03,12.04,9.017,22]tricosa-1(23),3(12),4,6,8,10,15,17,19,21-decaene has a molecular weight of 309.41 g/mol, XLogP of 5.86, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-azapentacyclo[13.8.0.03,12.04,9.017,22]tricosa-1(23),3(12),4,6,8,10,15,17,19,21-decaene is sourced from PubChem (CID 58185014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).