N-methyl-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)ethanamine

C18H19N — CID 70550474

IUPACN-methyl-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)ethanamine
SMILESCNC(C)C12CC(c3ccccc31)c1ccccc12
InChIInChI=1S/C18H19N/c1-12(19-2)18-11-15(13-7-3-5-9-16(13)18)14-8-4-6-10-17(14)18/h3-10,12,15,19H,11H2,1-2H3
InChIKeyNRWRPTNNAGTRJB-UHFFFAOYSA-N
MW249.36 g/mol
LogP3.43
Rot. Bonds2

About N-methyl-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)ethanamine

N-methyl-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)ethanamine (PubChem CID 70550474) has the molecular formula C18H19N and a molecular weight of 249.36 g/mol. Its IUPAC name is N-methyl-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)ethanamine.

Molecular Properties

Compound NameN-methyl-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)ethanamine
PubChem CID70550474
Molecular FormulaC18H19N
Molecular Weight249.36 g/mol
Exact Mass249.15
IUPAC NameN-methyl-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)ethanamine
SMILESCNC(C)C12CC(c3ccccc31)c1ccccc12
InChIInChI=1S/C18H19N/c1-12(19-2)18-11-15(13-7-3-5-9-16(13)18)14-8-4-6-10-17(14)18/h3-10,12,15,19H,11H2,1-2H3
InChIKeyNRWRPTNNAGTRJB-UHFFFAOYSA-N
XLogP3.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)ethanamine?
The IUPAC name of N-methyl-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)ethanamine (CID 70550474) is N-methyl-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)ethanamine.
What is the SMILES notation for N-methyl-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)ethanamine?
The canonical SMILES for N-methyl-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)ethanamine is CNC(C)C12CC(c3ccccc31)c1ccccc12.
What is the InChIKey of N-methyl-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)ethanamine?
The InChIKey is NRWRPTNNAGTRJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N/c1-12(19-2)18-11-15(13-7-3-5-9-16(13)18)14-8-4-6-10-17(14)18/h3-10,12,15,19H,11H2,1-2H3.
What are the key properties of N-methyl-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)ethanamine?
N-methyl-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)ethanamine has a molecular weight of 249.36 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)ethanamine is sourced from PubChem (CID 70550474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).