1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethanamine

C17H17N — CID 14950933

IUPAC1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethanamine
SMILESNCC12CCC(c3ccccc31)c1ccccc12
InChIInChI=1S/C17H17N/c18-11-17-10-9-12(13-5-1-3-7-15(13)17)14-6-2-4-8-16(14)17/h1-8,12H,9-11,18H2
InChIKeyOUBZJILYWZSWOB-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.17
Rot. Bonds1

About 1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethanamine

1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethanamine (PubChem CID 14950933) has the molecular formula C17H17N and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethanamine.

Molecular Properties

Compound Name1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethanamine
PubChem CID14950933
Molecular FormulaC17H17N
Molecular Weight235.33 g/mol
Exact Mass235.14
IUPAC Name1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethanamine
SMILESNCC12CCC(c3ccccc31)c1ccccc12
InChIInChI=1S/C17H17N/c18-11-17-10-9-12(13-5-1-3-7-15(13)17)14-6-2-4-8-16(14)17/h1-8,12H,9-11,18H2
InChIKeyOUBZJILYWZSWOB-UHFFFAOYSA-N
XLogP3.17
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethanamine?
The IUPAC name of 1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethanamine (CID 14950933) is 1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethanamine.
What is the SMILES notation for 1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethanamine?
The canonical SMILES for 1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethanamine is NCC12CCC(c3ccccc31)c1ccccc12.
What is the InChIKey of 1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethanamine?
The InChIKey is OUBZJILYWZSWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N/c18-11-17-10-9-12(13-5-1-3-7-15(13)17)14-6-2-4-8-16(14)17/h1-8,12H,9-11,18H2.
What are the key properties of 1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethanamine?
1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethanamine has a molecular weight of 235.33 g/mol, XLogP of 3.17, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethanamine is sourced from PubChem (CID 14950933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).