(6S,14R)-6,13-dimethyl-13-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15)-hexaene

C19H19N — CID 10706553

IUPAC(6S,14R)-6,13-dimethyl-13-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15)-hexaene
SMILESC[C@H]1c2cccc3c2-c2c1ccc1c2[C@@H](C3)N(C)CC1
InChIInChI=1S/C19H19N/c1-11-14-5-3-4-13-10-16-18-12(8-9-20(16)2)6-7-15(11)19(18)17(13)14/h3-7,11,16H,8-10H2,1-2H3/t11-,16+/m0/s1
InChIKeyHGMQRIBEHJQILA-MEDUHNTESA-N
MW261.37 g/mol
LogP3.90
Rot. Bonds

About (6S,14R)-6,13-dimethyl-13-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15)-hexaene

(6S,14R)-6,13-dimethyl-13-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15)-hexaene (PubChem CID 10706553) has the molecular formula C19H19N and a molecular weight of 261.37 g/mol. Its IUPAC name is (6S,14R)-6,13-dimethyl-13-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15)-hexaene.

Molecular Properties

Compound Name(6S,14R)-6,13-dimethyl-13-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15)-hexaene
PubChem CID10706553
Molecular FormulaC19H19N
Molecular Weight261.37 g/mol
Exact Mass261.15
IUPAC Name(6S,14R)-6,13-dimethyl-13-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15)-hexaene
SMILESC[C@H]1c2cccc3c2-c2c1ccc1c2[C@@H](C3)N(C)CC1
InChIInChI=1S/C19H19N/c1-11-14-5-3-4-13-10-16-18-12(8-9-20(16)2)6-7-15(11)19(18)17(13)14/h3-7,11,16H,8-10H2,1-2H3/t11-,16+/m0/s1
InChIKeyHGMQRIBEHJQILA-MEDUHNTESA-N
XLogP3.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (6S,14R)-6,13-dimethyl-13-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15)-hexaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6S,14R)-6,13-dimethyl-13-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15)-hexaene?
The IUPAC name of (6S,14R)-6,13-dimethyl-13-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15)-hexaene (CID 10706553) is (6S,14R)-6,13-dimethyl-13-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15)-hexaene.
What is the SMILES notation for (6S,14R)-6,13-dimethyl-13-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15)-hexaene?
The canonical SMILES for (6S,14R)-6,13-dimethyl-13-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15)-hexaene is C[C@H]1c2cccc3c2-c2c1ccc1c2[C@@H](C3)N(C)CC1.
What is the InChIKey of (6S,14R)-6,13-dimethyl-13-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15)-hexaene?
The InChIKey is HGMQRIBEHJQILA-MEDUHNTESA-N. The full InChI is InChI=1S/C19H19N/c1-11-14-5-3-4-13-10-16-18-12(8-9-20(16)2)6-7-15(11)19(18)17(13)14/h3-7,11,16H,8-10H2,1-2H3/t11-,16+/m0/s1.
What are the key properties of (6S,14R)-6,13-dimethyl-13-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15)-hexaene?
(6S,14R)-6,13-dimethyl-13-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15)-hexaene has a molecular weight of 261.37 g/mol, XLogP of 3.90, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,14R)-6,13-dimethyl-13-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15)-hexaene is sourced from PubChem (CID 10706553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).