N-methyl-5-azatricyclo[9.4.0.03,8]pentadeca-1,3,5,8,10,12,14-heptaen-2-amine

C15H14N2 — CID 57230838

IUPACN-methyl-5-azatricyclo[9.4.0.03,8]pentadeca-1,3,5,8,10,12,14-heptaen-2-amine
SMILESCNC1=c2ccccc2=CC=C2CC=NC=C21
InChIInChI=1S/C15H14N2/c1-16-15-13-5-3-2-4-11(13)6-7-12-8-9-17-10-14(12)15/h2-7,9-10,16H,8H2,1H3
InChIKeyBBVSHZCRIBAQFH-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.09
Rot. Bonds1

About N-methyl-5-azatricyclo[9.4.0.03,8]pentadeca-1,3,5,8,10,12,14-heptaen-2-amine

N-methyl-5-azatricyclo[9.4.0.03,8]pentadeca-1,3,5,8,10,12,14-heptaen-2-amine (PubChem CID 57230838) has the molecular formula C15H14N2 and a molecular weight of 222.29 g/mol. Its IUPAC name is N-methyl-5-azatricyclo[9.4.0.03,8]pentadeca-1,3,5,8,10,12,14-heptaen-2-amine.

Molecular Properties

Compound NameN-methyl-5-azatricyclo[9.4.0.03,8]pentadeca-1,3,5,8,10,12,14-heptaen-2-amine
PubChem CID57230838
Molecular FormulaC15H14N2
Molecular Weight222.29 g/mol
Exact Mass222.12
IUPAC NameN-methyl-5-azatricyclo[9.4.0.03,8]pentadeca-1,3,5,8,10,12,14-heptaen-2-amine
SMILESCNC1=c2ccccc2=CC=C2CC=NC=C21
InChIInChI=1S/C15H14N2/c1-16-15-13-5-3-2-4-11(13)6-7-12-8-9-17-10-14(12)15/h2-7,9-10,16H,8H2,1H3
InChIKeyBBVSHZCRIBAQFH-UHFFFAOYSA-N
XLogP1.09
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-azatricyclo[9.4.0.03,8]pentadeca-1,3,5,8,10,12,14-heptaen-2-amine?
The IUPAC name of N-methyl-5-azatricyclo[9.4.0.03,8]pentadeca-1,3,5,8,10,12,14-heptaen-2-amine (CID 57230838) is N-methyl-5-azatricyclo[9.4.0.03,8]pentadeca-1,3,5,8,10,12,14-heptaen-2-amine.
What is the SMILES notation for N-methyl-5-azatricyclo[9.4.0.03,8]pentadeca-1,3,5,8,10,12,14-heptaen-2-amine?
The canonical SMILES for N-methyl-5-azatricyclo[9.4.0.03,8]pentadeca-1,3,5,8,10,12,14-heptaen-2-amine is CNC1=c2ccccc2=CC=C2CC=NC=C21.
What is the InChIKey of N-methyl-5-azatricyclo[9.4.0.03,8]pentadeca-1,3,5,8,10,12,14-heptaen-2-amine?
The InChIKey is BBVSHZCRIBAQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2/c1-16-15-13-5-3-2-4-11(13)6-7-12-8-9-17-10-14(12)15/h2-7,9-10,16H,8H2,1H3.
What are the key properties of N-methyl-5-azatricyclo[9.4.0.03,8]pentadeca-1,3,5,8,10,12,14-heptaen-2-amine?
N-methyl-5-azatricyclo[9.4.0.03,8]pentadeca-1,3,5,8,10,12,14-heptaen-2-amine has a molecular weight of 222.29 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-azatricyclo[9.4.0.03,8]pentadeca-1,3,5,8,10,12,14-heptaen-2-amine is sourced from PubChem (CID 57230838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).