15-ethyl-16-methyl-14-azabicyclo[11.3.0]hexadeca-1(13),14-diene

C18H31N — CID 70828426

IUPAC15-ethyl-16-methyl-14-azabicyclo[11.3.0]hexadeca-1(13),14-diene
SMILESCCC1=NC2=C(CCCCCCCCCCC2)C1C
InChIInChI=1S/C18H31N/c1-3-17-15(2)16-13-11-9-7-5-4-6-8-10-12-14-18(16)19-17/h15H,3-14H2,1-2H3
InChIKeyKHYDFGKDRKCDDQ-UHFFFAOYSA-N
MW261.45 g/mol
LogP6.05
Rot. Bonds1

About 15-ethyl-16-methyl-14-azabicyclo[11.3.0]hexadeca-1(13),14-diene

15-ethyl-16-methyl-14-azabicyclo[11.3.0]hexadeca-1(13),14-diene (PubChem CID 70828426) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is 15-ethyl-16-methyl-14-azabicyclo[11.3.0]hexadeca-1(13),14-diene.

Molecular Properties

Compound Name15-ethyl-16-methyl-14-azabicyclo[11.3.0]hexadeca-1(13),14-diene
PubChem CID70828426
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC Name15-ethyl-16-methyl-14-azabicyclo[11.3.0]hexadeca-1(13),14-diene
SMILESCCC1=NC2=C(CCCCCCCCCCC2)C1C
InChIInChI=1S/C18H31N/c1-3-17-15(2)16-13-11-9-7-5-4-6-8-10-12-14-18(16)19-17/h15H,3-14H2,1-2H3
InChIKeyKHYDFGKDRKCDDQ-UHFFFAOYSA-N
XLogP6.05
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.45
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 15-ethyl-16-methyl-14-azabicyclo[11.3.0]hexadeca-1(13),14-diene?
The IUPAC name of 15-ethyl-16-methyl-14-azabicyclo[11.3.0]hexadeca-1(13),14-diene (CID 70828426) is 15-ethyl-16-methyl-14-azabicyclo[11.3.0]hexadeca-1(13),14-diene.
What is the SMILES notation for 15-ethyl-16-methyl-14-azabicyclo[11.3.0]hexadeca-1(13),14-diene?
The canonical SMILES for 15-ethyl-16-methyl-14-azabicyclo[11.3.0]hexadeca-1(13),14-diene is CCC1=NC2=C(CCCCCCCCCCC2)C1C.
What is the InChIKey of 15-ethyl-16-methyl-14-azabicyclo[11.3.0]hexadeca-1(13),14-diene?
The InChIKey is KHYDFGKDRKCDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N/c1-3-17-15(2)16-13-11-9-7-5-4-6-8-10-12-14-18(16)19-17/h15H,3-14H2,1-2H3.
What are the key properties of 15-ethyl-16-methyl-14-azabicyclo[11.3.0]hexadeca-1(13),14-diene?
15-ethyl-16-methyl-14-azabicyclo[11.3.0]hexadeca-1(13),14-diene has a molecular weight of 261.45 g/mol, XLogP of 6.05, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 15-ethyl-16-methyl-14-azabicyclo[11.3.0]hexadeca-1(13),14-diene is sourced from PubChem (CID 70828426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).