(14R)-13-methyl-13-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1,3,5(17),7(16),8,10(15)-hexaene

C18H17N — CID 10562462

IUPAC(14R)-13-methyl-13-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1,3,5(17),7(16),8,10(15)-hexaene
SMILESCN1CCc2ccc3c4c2[C@H]1Cc1cccc(c1-4)C3
InChIInChI=1S/C18H17N/c1-19-8-7-11-5-6-14-9-12-3-2-4-13-10-15(19)17(11)18(14)16(12)13/h2-6,15H,7-10H2,1H3/t15-/m1/s1
InChIKeyPYONGVUMQJAWOL-OAHLLOKOSA-N
MW247.34 g/mol
LogP3.34
Rot. Bonds

About (14R)-13-methyl-13-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1,3,5(17),7(16),8,10(15)-hexaene

(14R)-13-methyl-13-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1,3,5(17),7(16),8,10(15)-hexaene (PubChem CID 10562462) has the molecular formula C18H17N and a molecular weight of 247.34 g/mol. Its IUPAC name is (14R)-13-methyl-13-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1,3,5(17),7(16),8,10(15)-hexaene.

Molecular Properties

Compound Name(14R)-13-methyl-13-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1,3,5(17),7(16),8,10(15)-hexaene
PubChem CID10562462
Molecular FormulaC18H17N
Molecular Weight247.34 g/mol
Exact Mass247.14
IUPAC Name(14R)-13-methyl-13-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1,3,5(17),7(16),8,10(15)-hexaene
SMILESCN1CCc2ccc3c4c2[C@H]1Cc1cccc(c1-4)C3
InChIInChI=1S/C18H17N/c1-19-8-7-11-5-6-14-9-12-3-2-4-13-10-15(19)17(11)18(14)16(12)13/h2-6,15H,7-10H2,1H3/t15-/m1/s1
InChIKeyPYONGVUMQJAWOL-OAHLLOKOSA-N
XLogP3.34
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (14R)-13-methyl-13-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1,3,5(17),7(16),8,10(15)-hexaene?
The IUPAC name of (14R)-13-methyl-13-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1,3,5(17),7(16),8,10(15)-hexaene (CID 10562462) is (14R)-13-methyl-13-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1,3,5(17),7(16),8,10(15)-hexaene.
What is the SMILES notation for (14R)-13-methyl-13-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1,3,5(17),7(16),8,10(15)-hexaene?
The canonical SMILES for (14R)-13-methyl-13-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1,3,5(17),7(16),8,10(15)-hexaene is CN1CCc2ccc3c4c2[C@H]1Cc1cccc(c1-4)C3.
What is the InChIKey of (14R)-13-methyl-13-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1,3,5(17),7(16),8,10(15)-hexaene?
The InChIKey is PYONGVUMQJAWOL-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H17N/c1-19-8-7-11-5-6-14-9-12-3-2-4-13-10-15(19)17(11)18(14)16(12)13/h2-6,15H,7-10H2,1H3/t15-/m1/s1.
What are the key properties of (14R)-13-methyl-13-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1,3,5(17),7(16),8,10(15)-hexaene?
(14R)-13-methyl-13-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1,3,5(17),7(16),8,10(15)-hexaene has a molecular weight of 247.34 g/mol, XLogP of 3.34, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (14R)-13-methyl-13-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1,3,5(17),7(16),8,10(15)-hexaene is sourced from PubChem (CID 10562462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).