2-azabicyclo[13.2.1]octadeca-1(17),15(18)-diene

C17H29N — CID 153323508

IUPAC2-azabicyclo[13.2.1]octadeca-1(17),15(18)-diene
SMILESC1=C2CC=C1NCCCCCCCCCCCC2
InChIInChI=1S/C17H29N/c1-2-4-6-8-10-14-18-17-13-12-16(15-17)11-9-7-5-3-1/h13,15,18H,1-12,14H2
InChIKeyWRBSLNRCTWXDAB-UHFFFAOYSA-N
MW247.43 g/mol
LogP5.09
Rot. Bonds

About 2-azabicyclo[13.2.1]octadeca-1(17),15(18)-diene

2-azabicyclo[13.2.1]octadeca-1(17),15(18)-diene (PubChem CID 153323508) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is 2-azabicyclo[13.2.1]octadeca-1(17),15(18)-diene.

Molecular Properties

Compound Name2-azabicyclo[13.2.1]octadeca-1(17),15(18)-diene
PubChem CID153323508
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC Name2-azabicyclo[13.2.1]octadeca-1(17),15(18)-diene
SMILESC1=C2CC=C1NCCCCCCCCCCCC2
InChIInChI=1S/C17H29N/c1-2-4-6-8-10-14-18-17-13-12-16(15-17)11-9-7-5-3-1/h13,15,18H,1-12,14H2
InChIKeyWRBSLNRCTWXDAB-UHFFFAOYSA-N
XLogP5.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500247.43
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-azabicyclo[13.2.1]octadeca-1(17),15(18)-diene?
The IUPAC name of 2-azabicyclo[13.2.1]octadeca-1(17),15(18)-diene (CID 153323508) is 2-azabicyclo[13.2.1]octadeca-1(17),15(18)-diene.
What is the SMILES notation for 2-azabicyclo[13.2.1]octadeca-1(17),15(18)-diene?
The canonical SMILES for 2-azabicyclo[13.2.1]octadeca-1(17),15(18)-diene is C1=C2CC=C1NCCCCCCCCCCCC2.
What is the InChIKey of 2-azabicyclo[13.2.1]octadeca-1(17),15(18)-diene?
The InChIKey is WRBSLNRCTWXDAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-2-4-6-8-10-14-18-17-13-12-16(15-17)11-9-7-5-3-1/h13,15,18H,1-12,14H2.
What are the key properties of 2-azabicyclo[13.2.1]octadeca-1(17),15(18)-diene?
2-azabicyclo[13.2.1]octadeca-1(17),15(18)-diene has a molecular weight of 247.43 g/mol, XLogP of 5.09, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azabicyclo[13.2.1]octadeca-1(17),15(18)-diene is sourced from PubChem (CID 153323508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).