2-ethyl-10-propyl-13-azabicyclo[9.4.0]pentadeca-1(11),12,14-triene

C19H31N — CID 143716592

IUPAC2-ethyl-10-propyl-13-azabicyclo[9.4.0]pentadeca-1(11),12,14-triene
SMILESCCCC1CCCCCCCC(CC)c2ccncc21
InChIInChI=1S/C19H31N/c1-3-10-17-12-9-7-5-6-8-11-16(4-2)18-13-14-20-15-19(17)18/h13-17H,3-12H2,1-2H3
InChIKeyXWMWLBGHKVFRHP-UHFFFAOYSA-N
MW273.46 g/mol
LogP6.20
Rot. Bonds3

About 2-ethyl-10-propyl-13-azabicyclo[9.4.0]pentadeca-1(11),12,14-triene

2-ethyl-10-propyl-13-azabicyclo[9.4.0]pentadeca-1(11),12,14-triene (PubChem CID 143716592) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is 2-ethyl-10-propyl-13-azabicyclo[9.4.0]pentadeca-1(11),12,14-triene.

Molecular Properties

Compound Name2-ethyl-10-propyl-13-azabicyclo[9.4.0]pentadeca-1(11),12,14-triene
PubChem CID143716592
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC Name2-ethyl-10-propyl-13-azabicyclo[9.4.0]pentadeca-1(11),12,14-triene
SMILESCCCC1CCCCCCCC(CC)c2ccncc21
InChIInChI=1S/C19H31N/c1-3-10-17-12-9-7-5-6-8-11-16(4-2)18-13-14-20-15-19(17)18/h13-17H,3-12H2,1-2H3
InChIKeyXWMWLBGHKVFRHP-UHFFFAOYSA-N
XLogP6.20
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.46
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-ethyl-5,6,7,8,9,10,11,12,13,14-decahydrocyclododeca[c]pyridine
CID 143716647
7-ethyl-6,7-dihydro-5H-cyclopenta[c]pyridine
CID 59145627
10-butyl-2-propyl-12,14-diazabicyclo[9.4.0]pentadeca-1(15),11,13-triene
CID 143716496
7,8-diethyl-3-azabicyclo[4.2.0]octa-1(6),2,4-triene
CID 163627326
3-cycloheptyl-4-methylpyridine
CID 146408954
11-methyl-5-propyl-6,7,8,9,10,11-hexahydro-5H-cyclonona[b]pyrazine
CID 143716410
10-propyl-12,14-diazabicyclo[9.4.0]pentadeca-1(15),11,13-triene
CID 143716559
4-methyl-3-(1-propylpiperidin-2-yl)pyridine
CID 102539167
4-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene;ethane
CID 144567672
carbanide;5-ethyl-7,7-di(ethyl)-5,6-dihydrocyclopenta[c]pyridine;yttrium(3+)
CID 59590991
N-[[2-(3-fluoro-4-pyridinyl)cyclohexyl]methyl]ethanamine
CID 104739444
3-(4-ethylcyclohexyl)pyridin-4-amine
CID 64776322

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-10-propyl-13-azabicyclo[9.4.0]pentadeca-1(11),12,14-triene?
The IUPAC name of 2-ethyl-10-propyl-13-azabicyclo[9.4.0]pentadeca-1(11),12,14-triene (CID 143716592) is 2-ethyl-10-propyl-13-azabicyclo[9.4.0]pentadeca-1(11),12,14-triene.
What is the SMILES notation for 2-ethyl-10-propyl-13-azabicyclo[9.4.0]pentadeca-1(11),12,14-triene?
The canonical SMILES for 2-ethyl-10-propyl-13-azabicyclo[9.4.0]pentadeca-1(11),12,14-triene is CCCC1CCCCCCCC(CC)c2ccncc21.
What is the InChIKey of 2-ethyl-10-propyl-13-azabicyclo[9.4.0]pentadeca-1(11),12,14-triene?
The InChIKey is XWMWLBGHKVFRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-3-10-17-12-9-7-5-6-8-11-16(4-2)18-13-14-20-15-19(17)18/h13-17H,3-12H2,1-2H3.
What are the key properties of 2-ethyl-10-propyl-13-azabicyclo[9.4.0]pentadeca-1(11),12,14-triene?
2-ethyl-10-propyl-13-azabicyclo[9.4.0]pentadeca-1(11),12,14-triene has a molecular weight of 273.46 g/mol, XLogP of 6.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-10-propyl-13-azabicyclo[9.4.0]pentadeca-1(11),12,14-triene is sourced from PubChem (CID 143716592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).