(9R)-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),10,12,14-tetraene

C16H19N — CID 15628834

IUPAC(9R)-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),10,12,14-tetraene
SMILESCC12N[C@H](CC3=C1CCCC3)c1ccccc12
InChIInChI=1S/C16H19N/c1-16-13-8-4-2-6-11(13)10-15(17-16)12-7-3-5-9-14(12)16/h3,5,7,9,15,17H,2,4,6,8,10H2,1H3/t15-,16?/m1/s1
InChIKeyDNQMEVZYRQESJN-AAFJCEBUSA-N
MW225.33 g/mol
LogP3.82
Rot. Bonds

About (9R)-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),10,12,14-tetraene

(9R)-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),10,12,14-tetraene (PubChem CID 15628834) has the molecular formula C16H19N and a molecular weight of 225.33 g/mol. Its IUPAC name is (9R)-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),10,12,14-tetraene.

Molecular Properties

Compound Name(9R)-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),10,12,14-tetraene
PubChem CID15628834
Molecular FormulaC16H19N
Molecular Weight225.33 g/mol
Exact Mass225.15
IUPAC Name(9R)-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),10,12,14-tetraene
SMILESCC12N[C@H](CC3=C1CCCC3)c1ccccc12
InChIInChI=1S/C16H19N/c1-16-13-8-4-2-6-11(13)10-15(17-16)12-7-3-5-9-14(12)16/h3,5,7,9,15,17H,2,4,6,8,10H2,1H3/t15-,16?/m1/s1
InChIKeyDNQMEVZYRQESJN-AAFJCEBUSA-N
XLogP3.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 (9R)-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),10,12,14-tetraene?
The IUPAC name of (9R)-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),10,12,14-tetraene (CID 15628834) is (9R)-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),10,12,14-tetraene.
What is the SMILES notation for (9R)-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),10,12,14-tetraene?
The canonical SMILES for (9R)-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),10,12,14-tetraene is CC12N[C@H](CC3=C1CCCC3)c1ccccc12.
What is the InChIKey of (9R)-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),10,12,14-tetraene?
The InChIKey is DNQMEVZYRQESJN-AAFJCEBUSA-N. The full InChI is InChI=1S/C16H19N/c1-16-13-8-4-2-6-11(13)10-15(17-16)12-7-3-5-9-14(12)16/h3,5,7,9,15,17H,2,4,6,8,10H2,1H3/t15-,16?/m1/s1.
What are the key properties of (9R)-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),10,12,14-tetraene?
(9R)-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),10,12,14-tetraene has a molecular weight of 225.33 g/mol, XLogP of 3.82, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (9R)-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),10,12,14-tetraene is sourced from PubChem (CID 15628834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).