1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethanamine

C16H15N — CID 10900179

IUPAC1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethanamine
SMILESNCC12CC(c3ccccc31)c1ccccc12
InChIInChI=1S/C16H15N/c17-10-16-9-13(11-5-1-3-7-14(11)16)12-6-2-4-8-15(12)16/h1-8,13H,9-10,17H2
InChIKeyIZUFWQBEJCIXMX-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.78
Rot. Bonds1

About 1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethanamine

1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethanamine (PubChem CID 10900179) has the molecular formula C16H15N and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethanamine.

Molecular Properties

Compound Name1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethanamine
PubChem CID10900179
Molecular FormulaC16H15N
Molecular Weight221.30 g/mol
Exact Mass221.12
IUPAC Name1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethanamine
SMILESNCC12CC(c3ccccc31)c1ccccc12
InChIInChI=1S/C16H15N/c17-10-16-9-13(11-5-1-3-7-14(11)16)12-6-2-4-8-15(12)16/h1-8,13H,9-10,17H2
InChIKeyIZUFWQBEJCIXMX-UHFFFAOYSA-N
XLogP2.78
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethanamine?
The IUPAC name of 1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethanamine (CID 10900179) is 1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethanamine.
What is the SMILES notation for 1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethanamine?
The canonical SMILES for 1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethanamine is NCC12CC(c3ccccc31)c1ccccc12.
What is the InChIKey of 1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethanamine?
The InChIKey is IZUFWQBEJCIXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N/c17-10-16-9-13(11-5-1-3-7-14(11)16)12-6-2-4-8-15(12)16/h1-8,13H,9-10,17H2.
What are the key properties of 1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethanamine?
1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethanamine has a molecular weight of 221.30 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethanamine is sourced from PubChem (CID 10900179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).